Quercetin dihydrate | CAS No. 6151-25-3

Quercetin dihydrate

Basic Information

CAS Number

6151-25-3

Molecular Formula

C15H14O9

Molecular Weight

338.27 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

>300 °C

Boiling Point

642.4°C at 760 mmHg

Density

1.1440

Flash Point

642.4 °C at 760 mmHg

C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O

InChI

InChI=1S/C15H10O7.2H2O/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6;;/h1-5,16-19,21H;2*1H2

InChIKey

GMGIWEZSKCNYSW-UHFFFAOYSA-N

LogP

0.33859999999999946

Topological Polar Surface Area

194.35999999999996 Ų

Hydrogen Bond Donor/Acceptor

9 / 9

Complexity

488

Safety Information

View Safety Information

GHS Hazard Pictograms

H301H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 orally in mice: 160 mg/kg (Sullivan)

Synonyms & References

English

  • Quercetin dihydrate
  • C15H10O7.2H2O
  • QUERCETIN DIHYDRATE [WHO-DD]
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-onedihydrate
  • Prestwick_541
  • HMS3403F09
  • A833274
  • DTXCID401219
  • Quercetin,(S)
  • BMK1-G2
  • Tox21_201150
  • NCGC00258702-01
  • 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one;dihydrate
  • FT-0601606
  • CAS-6151-25-3
  • HMS3656A09
  • Tox21_110761
  • NCGC00017056-01
  • SY061661
  • HY-N0146
  • B0005-465575
  • BCP07318
  • 2-(3,4-dihydroxyphenyl)-3,5,7-
  • CCRIS 3304
  • 3,3',4',5,7-Pentahydroxyflavone dihydrate
  • 6151-25-3
  • 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one dihydrate
  • Flavone, 3,3',4',5,7-pentahydroxy-, dihydrate
  • Tox21_110761_1
  • SCHEMBL22103
  • Quercetindihydrate

MDL Number

MFCD03847906

Customs Code

2918290000

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