Cyclohexanecarboxylic acid
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 1.029–1.037 g/mL
- Melting point
- 31–32 °C
- Boiling point
- 232–233 °C
- logP
- 1.65Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H315 Causes skin irritation65.4% of notifiers
- H318 Causes serious eye damage16% of notifiers
- H319 Causes serious eye irritation47.1% of notifiers
- H335 May cause respiratory irritation18.3% of notifiers
Aggregated from 263 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
26764-36-3SMILES
C1CCC(CC1)C(=O)OInChIKey
NZNMSOFKMUBTKW-UHFFFAOYSA-NInChI
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Work with Cyclohexanecarboxylic 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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Cycloheptanecarboxylic acid1460-16-8100 % similar
Cycloundecanecarboxylic acid831-67-4100 % similar
Cyclopentanecarboxylic acid3400-45-194 % similar
Cyclobutanecarboxylic acid3721-95-784 % similar
2-Hexyldecanoic acid25354-97-675 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-774 % similar
Cyclopropanecarboxylic acid1759-53-174 % similar
1,4-Cyclohexanedicarboxylic acid619-81-874 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.