4-Cyanobutanoic acid
Properties
- Molecular formula
- C5H7NO2
- Molar mass
- 113.12 g/mol
- Exact mass
- 113.0477 Da
- logP
- 0.76Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed66.7% of notifiers
- H312 Harmful in contact with skin66.7% of notifiers
- H314 Causes severe skin burns and eye damage66.7% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H331 Toxic if inhaled66.7% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
39201-33-7SMILES
C(CC#N)CC(=O)OInChIKey
YXBVMSQDRLXPQV-UHFFFAOYSA-NInChI
InChI=1S/C5H7NO2/c6-4-2-1-3-5(7)8/h1-3H2,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Cyanobutyric acid
Work with 4-Cyanobutanoic acid
Similar compounds
5-Hexynoic acid53293-00-857 % similar
Glutaric acid110-94-157 % similar
Adipic acid124-04-957 % similar
Pimelic acid111-16-054 % similar
Sebacic acid111-20-654 % similar
Azelaic acid123-99-954 % similar
Pentadecanedioic acid1460-18-054 % similar
Undecanedioic acid1852-04-654 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.