(1s,4r)-4-Propylcyclohexane-1-carboxylic acid
Properties
- Molecular formula
- C10H18O2
- Molar mass
- 170.25 g/mol
- Exact mass
- 170.1307 Da
- logP
- 2.68Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation33.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects33.3% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
38289-27-9SMILES
CCCC1CCC(CC1)C(=O)OInChIKey
QCNUKEGGHOLBES-UHFFFAOYSA-NInChI
InChI=1S/C10H18O2/c1-2-3-8-4-6-9(7-5-8)10(11)12/h8-9H,2-7H2,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- trans-4-Propylcyclohexanecarboxylic acid
Work with (1s,4r)-4-Propylcyclohexane-1-carboxylic acid
Similar compounds
(Trans,trans)-4′-Propyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-32-089 % similar
Buciclic acid38289-28-079 % similar
Valproic acid99-66-176 % similar
trans-4-Pentylcyclohexanecarboxylic acid38289-29-176 % similar
(Trans,trans)-4′-Pentyl[1,1′-bicyclohexyl]-4-carboxylic acid65355-33-169 % similar
trans-4-Ethylcyclohexanecarboxylic acid6833-47-268 % similar
1,4-Cyclohexanedicarboxylic acid1076-97-763 % similar
Cyclopropanecarboxylic acid1759-53-163 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.