Cyclopentanecarboxylic acid
Properties
- Molecular formula
- C6H10O2
- Molar mass
- 114.14 g/mol
- Exact mass
- 114.0681 Da
- Density
- 1.051 g/mL (at 20 °C)
- Melting point
- −7 °C
- Boiling point
- 212 °C
- logP
- 1.26Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation98% of notifiers
Aggregated from 49 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
3400-45-1SMILES
O=C(O)C1CCCC1InChIKey
JBDSSBMEKXHSJF-UHFFFAOYSA-NInChI
InChI=1S/C6H10O2/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H,7,8)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
3 names
- Cyclopentylcarboxylic acid
- Cyclopentanoic acid
- NSC 59714
Work with Cyclopentanecarboxylic 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 acid1460-16-894 % similar
Cyclohexanecarboxylic acid26764-36-394 % similar
Cycloundecanecarboxylic acid831-67-494 % similar
Cyclohexanecarboxylic acid98-89-594 % similar
Cyclobutanecarboxylic acid3721-95-789 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-778 % similar
Cyclopropanecarboxylic acid1759-53-178 % similar
1,4-Cyclohexanedicarboxylic acid619-81-878 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.