Homogentisic acid
Properties
- Molecular formula
- C8H8O4
- Molar mass
- 168.15 g/mol
- Exact mass
- 168.0423 Da
- Melting point
- 153 °C
- logP
- 0.72Crippen estimate
- Polar surface area
- 77.8 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
451-13-8SMILES
O=C(O)Cc1cc(O)ccc1OInChIKey
IGMNYECMUMZDDF-UHFFFAOYSA-NInChI
InChI=1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzeneacetic acid, 2,5-dihydroxy-
- Acetic acid, (2,5-dihydroxyphenyl)-
- 2,5-Dihydroxybenzeneacetic acid
- Alcapton
- 2,5-Dihydroxyphenylacetic acid
- 2,5-Dihydroxy-α-toluic acid
- Homogentisinic acid
- NSC 88940
- 2-(2,5-Dihydroxyphenyl)acetic acid
Work with Homogentisic acid
Similar compounds
2,5-Dihydroxy-1,4-benzenediacetic acid5488-16-472 % similar
(2-Hydroxyphenyl)acetic acid614-75-561 % similar
2-(6-Hydroxy-1-benzofuran-3-yl) acetic acid69716-04-756 % similar
5-Hydroxyindoleacetic acid1321-73-955 % similar
5-Hydroxyindoleacetic acid54-16-055 % similar
4-Hydroxyphenylacetic acid156-38-755 % similar
3'-Hydroxyphenylacetic acid621-37-453 % similar
7-Hydroxycoumarin-4-acetic acid6950-82-951 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.