Cyclopropanecarboxylic acid
Properties
- Molecular formula
- C4H6O2
- Molar mass
- 86.09 g/mol
- Exact mass
- 86.0368 Da
- Density
- 0.9154 g/mL (at 0 °C)
- Melting point
- 18.5 °C
- Boiling point
- 183 °C
- logP
- 0.48Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed46.2% of notifiers
- H314 Causes severe skin burns and eye damage68.3% of notifiers
- H318 Causes serious eye damage21.4% of notifiers
Aggregated from 145 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, P501
Identifiers
CAS number
1759-53-1SMILES
O=C(O)C1CC1InChIKey
YMGUBTXCNDTFJI-UHFFFAOYSA-NInChI
InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Cyclopropionic acid
- Cyclopropylcarboxylic acid
- Carboxycyclopropane
- NSC 1112
Reactions
Work with Cyclopropanecarboxylic acid
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,4-Cyclohexanedicarboxylic acid1076-97-7100 % similar
1,4-Cyclohexanedicarboxylic acid619-81-8100 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-9100 % similar
Cyclopentanecarboxylic acid3400-45-178 % similar
Cyclobutanecarboxylic acid3721-95-778 % similar
1,3-Cyclopentanedicarboxylic acid4056-78-478 % similar
4-Hydroxycyclohexanecarboxylic acid17419-81-775 % similar
trans-4-Hydroxycyclohexanecarboxylic acid3685-22-175 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.