trans-4-Hydroxycyclohexanecarboxylic acid

C₇H₁₂O₃CAS 3685-26-5144.17 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₇H₁₂O₃
Molar mass: 144.17 g/mol
Exact mass: 144.0786 Da
Melting point: 120 °C
logP: 0.62Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: r, rin SMILES atom order

Identifiers

CAS number

3685-26-5

SMILES

O=C(O)[C@H]1CC[C@H](O)CC1

InChIKey

HCFRWBBJISAZNK-IZLXSQMJNA-N

InChI

InChI=1/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-

Weigh it out

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

Names and synonyms

3 names

Cyclohexanecarboxylic acid, 4-hydroxy-, trans-
trans-4-Hydroxycyclohexylcarboxylic acid
(1r,2r)-4-Hydroxycyclohexan-1-carboxylic acid

Work with trans-4-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

1,4-Cyclohexanedicarboxylic acid1076-97-775 % similar 1,4-Cyclohexanedicarboxylic acid619-81-875 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-975 % similar Cyclopentanecarboxylic acid3400-45-161 % similar Cyclobutanecarboxylic acid3721-95-761 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-461 % similar Cycloheptanecarboxylic acid1460-16-858 % similar Cyclohexanecarboxylic acid98-89-558 % 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 Ethyl 3-methyl-2-oxobutanoate20201-24-5 4-Hydroxybutyl acrylate2478-10-6 Polyethylene glycol methyl ether methacrylate26915-72-0

Elsewhere

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