3-Hydroxycyclohexanecarboxylic acid

C7H12O3CAS 606488-94-2144.17 g/mol

Open in Covalent MOL file
HOOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
logP
0.62Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
606488-94-2
SMILES
C1CC(CC(C1)O)C(=O)O
InChIKey
JBZDHFKPEDWWJC-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Cyclohexanecarboxylic acid, 3-hydroxy-

Work with 3-Hydroxycyclohexanecarboxylic 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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

cis-1,3-Cyclohexanedicarboxylic acid2305-31-972 % similar 1,3-Cyclohexanedicarboxylic acid3971-31-172 % similar 3-Hydroxycyclobutanecarboxylic acid194788-10-865 % similar Cyclobutanecarboxylic acid3721-95-764 % similar 3-Aminocyclohexanecarboxylic acid25912-50-958 % similar rac-(1R,3S)-3-Aminocyclohexane-1-carboxylic acid81131-40-058 % similar Cyclopentanecarboxylic acid3400-45-158 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-ethoxy-2-propenoate1001-26-9 Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Ethyl 3-methyl-2-oxobutanoate20201-24-5 Butyl pyruvate20279-44-1

Elsewhere

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