3,4-Dihydroxyphenylacetic acid
Properties
- Molecular formula
- C8H8O4
- Molar mass
- 168.15 g/mol
- Exact mass
- 168.0423 Da
- Melting point
- 128.5 °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 irritation97.8% of notifiers
Aggregated from 45 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
102-32-9SMILES
O=C(O)Cc1ccc(O)c(O)c1InChIKey
CFFZDZCDUFSOFZ-UHFFFAOYSA-NInChI
InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)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
12 names
- Benzeneacetic acid, 3,4-dihydroxy-
- Acetic acid, (3,4-dihydroxyphenyl)-
- 3,4-Dihydroxybenzeneacetic acid
- DOPAC
- Homoprotocatechuic acid
- Ba 2773
- Dopacetic acid
- (3,4-Dihydroxyphenyl)acetic acid
- Dihydroxyphenylacetic acid
- NSC 73191
- 3′,4′-Dihydroxyphenylacetic acid
- 2-(3,4-Dihydroxyphenyl)acetic acid
Work with 3,4-Dihydroxyphenylacetic acid
Similar compounds
3-Fluoro-4-hydroxybenzeneacetic acid458-09-372 % similar
3-Chloro-4-hydroxyphenylacetic acid33697-81-370 % similar
3-Bromo-4-hydroxyphenylacetic acid38692-80-770 % similar
Dihydrocaffeic acid1078-61-169 % similar
3-Hydroxy-4-methoxybenzeneacetic acid1131-94-864 % similar
Homovanillic acid306-08-164 % similar
1,4-Benzenediacetic acid7325-46-463 % similar
1-(3,4-Dihydroxyphenyl)-2-propanone2503-44-861 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds