1-Cyanocyclopropanecarboxylic acid
Properties
- Molecular formula
- C5H5NO2
- Molar mass
- 111.10 g/mol
- Exact mass
- 111.0320 Da
- Melting point
- 135–136 °C
- logP
- 0.37Crippen estimate
- Polar surface area
- 61.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin97.9% of notifiers
- H314 Causes severe skin burns and eye damage97.9% of notifiers
- H318 Causes serious eye damage85.1% of notifiers
- H332 Harmful if inhaled97.9% of notifiers
Aggregated from 47 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+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, P501
Identifiers
CAS number
6914-79-0SMILES
N#CC1(C(=O)O)CC1InChIKey
KSJJMSKNZVXAND-UHFFFAOYSA-NInChI
InChI=1S/C5H5NO2/c6-3-5(1-2-5)4(7)8/h1-2H2,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Cyclopropanecarboxylic acid, 1-cyano-
- 1-Cyano-1-cyclopropanecarboxylic acid
Work with 1-Cyanocyclopropanecarboxylic acid
Similar compounds
Bicyclo[2.2.2]octane-1,4-dicarboxylic acid711-02-450 % similar
Bicyclo(2.2.1)heptane-1,4-dicarboxylic acid15544-51-146 % similar
1,3,5,7-Adamantanetetracarboxylic acid100884-80-844 % similar
Bicyclo(1.1.1)pentane-1,3-dicarboxylic acid56842-95-644 % similar
1,1-Cyclopropanedicarboxylic acid598-10-744 % similar
Ethyl 1-cyanocyclopropanecarboxylate1558-81-242 % similar
1-Hydroxy-1-cyclopropanecarboxylic acid17994-25-141 % similar
1,1-Cyclobutanedicarboxylic acid5445-51-241 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.