2-Cyanobenzeneacetic acid
Properties
- Molecular formula
- C9H7NO2
- Molar mass
- 161.16 g/mol
- Exact mass
- 161.0477 Da
- Melting point
- 122–123 °C
- logP
- 1.19Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
18698-99-2SMILES
N#Cc1ccccc1CC(=O)OInChIKey
QLHZKPQKYARBGT-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzeneacetic acid, 2-cyano-
- Acetic acid, (o-cyanophenyl)-
- 2-Cyanophenylacetic acid
- 2-(2-Cyanophenyl)acetic acid
Work with 2-Cyanobenzeneacetic acid
Similar compounds
1,2-Benzenediacetic acid7500-53-066 % similar
2-Bromophenylacetic acid18698-97-056 % similar
(2-Hydroxyphenyl)acetic acid614-75-556 % similar
2-Iodophenylacetic acid18698-96-954 % similar
o-Chlorophenylacetic acid2444-36-254 % similar
2-Aminophenylacetic acid3342-78-754 % similar
2-Aminomethylphenylacetic acid40851-65-854 % similar
(2-Fluorophenyl)acetic acid451-82-154 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.