chempirical

Cyclohexanecarboxylic acid

C7H12O2CAS 26764-36-3128.17 g/mol

Open in Covalent MOL file
OOH
Carboxylic acid

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
logP
1.65Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
26764-36-3
SMILES
C1CCC(CC1)C(=O)O
InChIKey
NZNMSOFKMUBTKW-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)

Weigh it out

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

Work with Cyclohexanecarboxylic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cyclohexanecarboxylic acid98-89-5

Similar compounds

Cycloheptanecarboxylic acid1460-16-8100 % similar Cycloundecanecarboxylic acid831-67-4100 % similar Cyclopentanecarboxylic acid3400-45-194 % similar Cyclobutanecarboxylic acid3721-95-784 % similar 2-Hexyldecanoic acid25354-97-675 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-774 % similar Cyclopropanecarboxylic acid1759-53-174 % similar 1,4-Cyclohexanedicarboxylic acid619-81-874 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,3-Diethoxy-1-propyne10160-87-9 2-Ethoxy-3,4-dihydro-2H-pyran103-75-3 γ-Heptalactone105-21-5 Isobutyl acrylate106-63-8 6-Heptenoic acid1119-60-4 Cyclopentaneacetic acid1123-00-8 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7

Elsewhere

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