3-(Acetyloxy)benzoic acid
Properties
- Molecular formula
- C9H8O4
- Molar mass
- 180.16 g/mol
- Exact mass
- 180.0423 Da
- Melting point
- 130 °C
- logP
- 1.31Crippen estimate
- Polar surface area
- 63.6 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 39 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
6304-89-8SMILES
CC(=O)Oc1cccc(C(=O)O)c1InChIKey
NGMYCWFGNSXLMP-UHFFFAOYSA-NInChI
InChI=1S/C9H8O4/c1-6(10)13-8-4-2-3-7(5-8)9(11)12/h2-5H,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- Benzoic acid, 3-(acetyloxy)-
- Benzoic acid, m-hydroxy-, acetate
- m-Carboxyphenyl acetate
- 3-Acetoxybenzoic acid
- m-Acetoxybenzoic acid
- NSC 43147
Work with 3-(Acetyloxy)benzoic acid
Similar compounds
3,5-Diacetoxybenzoic acid35354-29-171 % similar
6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-068 % similar
1-[3-(Acetyloxy)phenyl]ethanone2454-35-567 % similar
1,3-Dihydroxybenzene diacetate108-58-766 % similar
3-Methoxybenzoic acid586-38-964 % similar
3-Phenoxybenzoic acid3739-38-661 % similar
Acetylresorcinol102-29-459 % similar
3-Isopropoxybenzoic acid60772-67-059 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.