Cyclohexanecarboxylic acid
Properties
- Molecular formula
- C7H12O2
- Molar mass
- 128.17 g/mol
- Exact mass
- 128.0837 Da
- Density
- 0.9866 g/mL (at 80.8 °C)
- Melting point
- 31.5 °C
- Boiling point
- 232.5 °C
- logP
- 1.65Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
98-89-5SMILES
O=C(O)C1CCCCC1InChIKey
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.
Names and synonyms
10 names
- Benzoic acid, hexahydro-
- Hexahydrobenzoic acid
- Cyclohexanoic acid
- Cyclohexylcarboxylic acid
- Carboxycyclohexane
- Cyclohexylmethanoic acid
- NSC 452
- NSC 97391
- NSC 97393
- Cyclohexyl formic acid
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
Similar compounds
Cycloheptanecarboxylic acid1460-16-8100 % similar
Cyclopentanecarboxylic acid3400-45-194 % similar
Cyclobutanecarboxylic acid3721-95-784 % similar
2-Hexyldecanoic acid25354-97-675 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-774 % similar
1,4-Cyclohexanedicarboxylic acid619-81-874 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-974 % similar
1,3-Cyclohexanedicarboxylic acid3971-31-168 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds