ChemicalBook--->CAS DataBase List--->1637-75-8

1637-75-8

1637-75-8 Structure

1637-75-8 Structure
IdentificationBack Directory
[Name]

3-Hydroxyhippuricacid
[CAS]

1637-75-8
[Synonyms]

3-Hydroxyhippuricacid
m-hydroxyhippuric acid
N-(3-hydroxybenzoyl-)Glycine
Glycine, N-(3-hydroxybenzoyl)-
2-[(3-hydroxybenzoyl)amino]acetic acid
2-[(3-hydroxyphenyl)carbonylamino]acetic acid
2-[(3-hydroxyphenyl)carbonylamino]ethanoic acid
[Molecular Formula]

C9H9NO4
[MDL Number]

MFCD09044170
[MOL File]

1637-75-8.mol
[Molecular Weight]

195.17
Chemical PropertiesBack Directory
[Melting point ]

185 °C(Solv: water (7732-18-5))
[Boiling point ]

489.8±30.0 °C(Predicted)
[density ]

1.400±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

3.70±0.10(Predicted)
[color ]

White to Off-White
[InChI]

1S/C9H9NO4/c11-7-3-1-2-6(4-7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
[InChIKey]

XDOFWFNMYJRHEW-UHFFFAOYSA-N
[SMILES]

OC(=O)CNC(=O)C1=CC=CC(O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H319-H315
[Precautionary statements ]

P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

m-Hydroxyhippuric Acid is a metabolite of caffeic and chlorogenic acids in human.
[Definition]

ChEBI: An N-acylglycine that is hippuric acid (N-benzoylglycine) substituted at position 3 on the phenyl ring by a hydroxy group.
[IC 50]

Microbial Metabolite; Human Endogenous Metabolite
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