4-Acetyl-1-naphthalenecarboxylic acid
Properties
- Molecular formula
- C13H10O3
- Molar mass
- 214.22 g/mol
- Exact mass
- 214.0630 Da
- Melting point
- 184 °C
- logP
- 2.74Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H319 Causes serious eye irritation100% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
131986-05-5SMILES
CC(=O)c1ccc(C(=O)O)c2ccccc12InChIKey
DOCFRBZXXQJPBD-UHFFFAOYSA-NInChI
InChI=1S/C13H10O3/c1-8(14)9-6-7-12(13(15)16)11-5-3-2-4-10(9)11/h2-7H,1H3,(H,15,16)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 1-Naphthalenecarboxylic acid, 4-acetyl-
- 4-Acetylnaphthalene-1-carboxylic acid
Work with 4-Acetyl-1-naphthalenecarboxylic acid
Similar compounds
1,4-Naphthalenedicarboxylic acid605-70-974 % similar
2-Acetylbenzoic acid577-56-070 % similar
4-Methyl-1-naphthoic acid4488-40-864 % similar
4-Chloronaphthalene-1-carboxylic acid1013-04-359 % similar
4-Bromo-1-naphtalenecarboxylic acid16650-55-859 % similar
4-Fluoro-1-naphthoic acid573-03-559 % similar
4-Methoxy-1-naphthalenecarboxylic acid13041-62-858 % similar
4-Ethyl-1-naphthoic acid91902-58-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.