3-Acetylbenzoic acid
Properties
- Molecular formula
- C9H8O3
- Molar mass
- 164.16 g/mol
- Exact mass
- 164.0473 Da
- Melting point
- 170–173 °C
- logP
- 1.59Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation88.9% of notifiers
- H319 Causes serious eye irritation88.9% of notifiers
- H335 May cause respiratory irritation77.8% of notifiers
Aggregated from 9 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
586-42-5SMILES
CC(=O)c1cccc(C(=O)O)c1InChIKey
CHZPJUSFUDUEMZ-UHFFFAOYSA-NInChI
InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)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
7 names
- Benzoic acid, 3-acetyl-
- Benzoic acid, m-acetyl-
- 3′-Carboxyacetophenone
- m-Acetylbenzoic acid
- m-Carboxyacetophenone
- 3-(1-Oxoethyl)benzoic acid
- NSC 2932
Work with 3-Acetylbenzoic acid
Similar compounds
Isophthalic acid121-91-573 % similar
1,3-Diacetylbenzene6781-42-673 % similar
4-Acetylbenzoic acid586-89-066 % similar
3-Hydroxyacetophenone121-71-159 % similar
m-Toluic acid99-04-759 % similar
3-Benzoylbenzoic acid579-18-058 % similar
5-Acetylsalicylic acid13110-96-857 % similar
Mono-methyl isophthalate1877-71-057 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.