FComEx: 3-Hydroxybenzoic acid (PC001083)

Record Information

Version

1.0

Creation date

2018-04-10 11:54:40 UTC

Update date

2018-04-27 10:32:41 UTC

FoodComEx ID

PC001083

FoodDB Record

FDB010507

Chemical Information

Name

3-Hydroxybenzoic acid

Description

Produced in the gut microflora as one of the three main metabolites formed from the catechin diet. 3-Hydroxybenzoic acid is found in many foods, some of which are corn, bilberry, citrus, and beer.

CAS Number

99-06-9

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
3-Carboxyphenol	biospider
3-hydroxy benzoate	biospider
3-hydroxy benzoic acid	biospider
3-Hydroxybenzoate	biospider
3pcb	biospider
7720-19-6 (mono-hydrochloride salt)	biospider
Acido m-idrossibenzoico	biospider
Benzoic acid, 3-hydroxy-	biospider
Benzoic acid, m-hydroxy-	biospider
BEZ	biospider
Kyselina 3-hydroxybenzoova	HMDB
M-hba	biospider
M-hydroxybenzoate	biospider
M-hydroxybenzoic acid	biospider
M-salicylate	biospider
M-salicylic acid	biospider
Meta-hydroxybenzoate	biospider
Meta-hydroxybenzoic acid	biospider

Chemical Formula

C7H6O3

IUPAC name

3-hydroxybenzoic acid

InChI Identifier

InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

InChI Key

IJFXRHURBJZNAO-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)C1=CC(O)=CC=C1

Average Molecular Weight

138.122

Monoisotopic Molecular Weight

138.031694053

Chemical Taxonomy

Class

Polyphenols

Family

Hydroxybenzoic acids

Physico-Chemical Properties - Experimental

Property	Value	Reference
Experimental logP	1.50	HANSCH,C ET AL. (1995)
Experimental Water Solubility	7.25 mg/mL at 25 oC	YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point	Mp 202°	DFC

Foods of Origin