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3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid | CAS No. 3301-79-9

3',6'-Dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid

Basic Information

Chemical_Structure_Of

CAS Number

3301-79-9

Molecular Formula

C21H12O7

Molecular Weight

376.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

>300 °C

Boiling Point

736.4 °C at 760 mmHg

Density

1.7300

Flash Point

271 °C

Solubility

DMSO: soluble

Refractive Index

1.816

SMILES

C1=CC2=C(C=C1C(=O)O)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

InChI

InChI=1S/C21H12O7/c22-11-2-5-14-17(8-11)27-18-9-12(23)3-6-15(18)21(14)16-7-10(19(24)25)1-4-13(16)20(26)28-21/h1-9,22-23H,(H,24,25)

InChIKey

BZTDTCNHAFUJOG-UHFFFAOYSA-N

LogP

3.3640000000000017

pKa

3.3, 4.6, 6.4, 7.0(at 25℃)

Topological Polar Surface Area

113.29000000000002 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

637

Safety Information

View Safety Information

GHS Hazard Pictograms

H315

H315

H319

H319

H335

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

BZTDTCNHAFUJOG-UHFFFAOYSA-N
FT-0621009
DTXSID6062965
3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthene]-6-carboxylic acid
CHEBI:39073
UNII-JHJ853P6SM
Q245486
AC-28936
C2478
3',6'-Dihydroxy-3-oxospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid
Spiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylic acid, 3',6'-dihydroxy-3-oxo-
Spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-6-carboxylicacid, 3',6'-dihydroxy-3-oxo-
SCHEMBL20833
3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carboxylic acid
F12261
6-FAM
PB42556
PD012214
J-100061
3301-79-9
BCP22614
6-Carboxyfluorescein
3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthene]-6-carboxylic acid
JHJ853P6SM
MFCD00036873
CHEMBL1614944
3',6'-Dihydroxy-3-oxospiro(isobenzofuran-1(3H),9'-(9H)xanthene)-6-carboxylic acid
BIDD:GT0504
FLUOS
6-Carboxyfluorescein, ~97% (HPLC)

MDL Number

MFCD00036873

Customs Code

2915900090

Related Compounds

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide structure

N-[(3S)-1-(Dimethylcarbamoyl)-3-pyrrolidinyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

CAS Number: 1013920-15-4

Molecular Formula: C23H26FN5O3

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid structure

7-Methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

CAS Number: 1016505-59-1

Molecular Formula: C8H7N3O2

(10,10,10-~2~H_3_)Decanoic acid structure

(10,10,10-~2~H_3_)Decanoic acid

CAS Number: 102611-15-4

Molecular Formula: C10H17D3O2

Methyl 8-methylquinoline-7-carboxylate structure

Methyl 8-methylquinoline-7-carboxylate

CAS Number: 1030846-94-6

Molecular Formula: C12H11NO2

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid structure

2-Fluoro-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid

CAS Number: 1048919-15-8

Molecular Formula: C12H14FNO4

4,6-Nonadecadiyn-1-ol structure

4,6-Nonadecadiyn-1-ol

CAS Number: 1071447-01-2

Molecular Formula: C19H32O

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one structure

1,5,8-Trihydroxy-3-methoxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one

CAS Number: 110187-11-6

Molecular Formula: C19H18O6

Azithromycin EP Impurity J structure

Azithromycin EP Impurity J

CAS Number: 117693-41-1

Molecular Formula: C30H58N2O9

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride structure

9-Benzyl-2,9-diazaspiro[5.5]undecane dihydrochloride

CAS Number: 1198286-24-6

Molecular Formula: C16H26Cl2N2

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Supplier Information

ShangHaiHanHong Chemical Co Ltd

CAS Number: 3301-79-9

JACS- ZhengZhouJieKeSiHuaGongChanPin Co Ltd

CAS Number: 3301-79-9

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 3301-79-9

BeiJingXinSuYan Technology Co Ltd

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Shanghai Jixiang Biotechnology Co., Ltd.

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Haining Biosun Biotechnology Co., Ltd.

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HePeng （ ShangHai ） Biotechnology Co Ltd

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Jin Jinle (Hunan) Chemical Co., Ltd.

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CAS Number: 3301-79-9