Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate | CAS No. 55481-88-4

Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate

Basic Information

CAS Number

55481-88-4

Molecular Formula

C17H16O4

Molecular Weight

284.31 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

130.0 to 134.0 deg-C

Boiling Point

453.2°C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

167.5±22.2 °C

Solubility

DMSO,Acetone,Methanol,Acetontrile

Refractive Index

1.618

CC1(C=CC2=C(O1)C3=CC=CC=C3C(=C2C(=O)OC)O)C

InChI

InChI=1S/C17H16O4/c1-17(2)9-8-12-13(16(19)20-3)14(18)10-6-4-5-7-11(10)15(12)21-17/h4-9,18H,1-3H3

InChIKey

VLGATXOTCNBWIT-UHFFFAOYSA-N

LogP

3.516200000000002

Topological Polar Surface Area

55.760000000000005 Ų

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

442

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
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

Storage Conditions

2-8℃

Synonyms & References

English

  • MFCD02752331
  • AC-34129
  • Z3234884822
  • 55481-88-4
  • AKOS015897118
  • M98N6A8Z2F
  • Rubimailin
  • FT-0688300
  • methyl 6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylate
  • 2H-Naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester
  • CS-0008814
  • CHEMBL446008
  • CCRIS 6432
  • SCHEMBL2115949
  • VLGATXOTCNBWIT-UHFFFAOYSA-N
  • BS-49147
  • Q-100638
  • DTXSID30204059
  • s9162
  • A870182
  • M3091
  • methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
  • Mollugin,(S)
  • CCG-267302
  • Rubimaillin
  • 2H-Naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester
  • CHEBI:141063
  • HY-N0316
  • Methyl 6-hydroxy-2,2-dimethyl-2H-benzo[h]chromene-5-carboxylate #
  • 3'-carbomethoxy-4'-hydroxy-6,6-dimethylnaphtho(1',2'-2,3)pyran
  • methyl 6-hydroxy-2,2-dimethyl-2h-benzeno[h]chromene-5-carboxylate

MDL Number

MFCD02752331

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