Cyclohexanepropanoic acid
Properties
- Molecular formula
- C9H16O2
- Molar mass
- 156.22 g/mol
- Exact mass
- 156.1150 Da
- Density
- 0.9848 g/mL (at 38 °C)
- Melting point
- 16 °C
- Boiling point
- 276.5 °C
- logP
- 2.43Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H302 Harmful if swallowed70.1% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation29.2% of notifiers
Aggregated from 137 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
701-97-3SMILES
O=C(O)CCC1CCCCC1InChIKey
HJZLEGIHUQOJBA-UHFFFAOYSA-NInChI
InChI=1S/C9H16O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Cyclohexanepropionic acid
- 3-Cyclohexanepropionic acid
- 3-Cyclohexylpropanoic acid
- 3-Cyclohexylpropionic acid
- Cyclohexylpropionic acid
- NSC 404945
- 3-Cyclohexanepropanoic acid
Work with Cyclohexanepropanoic 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
Cypionic acid140-77-295 % similar
Cyclohexanebutanoic acid4441-63-883 % similar
Cyclohexaneacetic acid5292-21-764 % similar
Cyclopentaneacetic acid1123-00-860 % similar
4-Ethyloctanoic acid16493-80-458 % similar
Pimelic acid111-16-057 % similar
Sebacic acid111-20-657 % similar
Azelaic acid123-99-957 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.