Cyclohexaneacetic acid
Properties
- Molecular formula
- C8H14O2
- Molar mass
- 142.20 g/mol
- Exact mass
- 142.0994 Da
- Density
- 0.985 g/mL (at 22 °C)
- Melting point
- 33 °C
- Boiling point
- 245 °C
- logP
- 2.04Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
5292-21-7SMILES
O=C(O)CC1CCCCC1InChIKey
LJOODBDWMQKMFB-UHFFFAOYSA-NInChI
InChI=1S/C8H14O2/c9-8(10)6-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Cyclohexylacetic acid
- NCI 204816
- 2-Cyclohexylacetic acid
- NSC 2159
Work with Cyclohexaneacetic 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
Cyclopentaneacetic acid1123-00-895 % similar
Cyclopropylacetic acid5239-82-776 % similar
Cyclohexanebutanoic acid4441-63-864 % similar
Cyclohexanepropanoic acid701-97-364 % similar
Tetrahydropyranyl-4-acetic acid85064-61-562 % similar
3-Piperidineacetic acid74494-52-359 % similar
(R)-3-Hydroxytetradecanoic acid28715-21-150 % similar
3-Isobutylglutaric acid75143-89-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.