4-Oxocyclohexanecarboxylic acid
Properties
- Molecular formula
- C7H10O3
- Molar mass
- 142.15 g/mol
- Exact mass
- 142.0630 Da
- Melting point
- 75–76 °C
- Boiling point
- 210 °C (at 25 Torr)
- logP
- 0.83Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H302 Harmful if swallowed83.3% of notifiers
- H315 Causes skin irritation18.8% of notifiers
- H318 Causes serious eye damage83.3% of notifiers
- H319 Causes serious eye irritation16.7% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
Aggregated from 48 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
874-61-3SMILES
O=C1CCC(C(=O)O)CC1InChIKey
OWLXUYGCLDGHJJ-UHFFFAOYSA-NInChI
InChI=1S/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Cyclohexanecarboxylic acid, 4-oxo-
- 4-Ketocyclohexanecarboxylic acid
- Cyclohexanone-4-carboxylic acid
- 4-Oxo-1-cyclohexanecarboxylic acid
- 4-Ketocyclohexylcarboxylic acid
Work with 4-Oxocyclohexanecarboxylic acid
Similar compounds
3-Oxocyclopentanecarboxylic acid98-78-275 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-767 % similar
Cyclopropanecarboxylic acid1759-53-167 % similar
1,4-Cyclohexanedicarboxylic acid619-81-867 % similar
trans-1,4-Cyclohexanedicarboxylic acid619-82-967 % similar
Cyclopentanecarboxylic acid3400-45-161 % similar
Cyclobutanecarboxylic acid3721-95-761 % similar
Cycloheptanecarboxylic acid1460-16-858 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.