(S)-(-)-3-Cyclohexene-1-carboxylic Acid

C₇H₁₀O₂CAS 5708-19-0126.15 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid

Properties

Molecular formula: C₇H₁₀O₂
Molar mass: 126.15 g/mol
Exact mass: 126.0681 Da
logP: 1.43Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5708-19-0

SMILES

C1C[C@@H](CC=C1)C(=O)O

InChIKey

VUSWCWPCANWBFG-ZCFIWIBFSA-N

InChI

InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,8,9)/t6-/m1/s1

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Names and synonyms

1 names

(S)-(-)-3-Cyclohexenecarboxylic acid

Work with (S)-(-)-3-Cyclohexene-1-carboxylic 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.

(1R)-3-Cyclohexene-1-carboxylic acid5709-98-8Enantiomer 3-Cyclohexene-1-carboxylic acid4771-80-6Stereo not defined

Similar compounds

3-Cyclopentene-1-carboxylic acid7686-77-371 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-752 % similar Cyclopropanecarboxylic acid1759-53-152 % similar 1,4-Cyclohexanedicarboxylic acid619-81-852 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-952 % similar Rel-(1R,2S)-4-Cyclohexene-1,2-dicarboxylic acid2305-26-252 % similar Methyl 4-cyclohexenecarboxylate6493-77-248 % similar Isonipecotic acid498-94-248 % similar

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

Same formula

2-Methyl-1,3-cyclohexanedione1193-55-1 Cycloheptane-1,3-dione1194-18-9 3,4-Dimethyl 1,2-cyclopentandione13494-06-9 3,5-Dimethyl-1,2-cyclopentanedione13494-07-0 tert-Butyl propiolate13831-03-3 Methyl 2,4-hexadienoate1515-80-6 Methyl 3-methylenecyclobutanecarboxylate15963-40-3 2-Acetylcyclopentanone1670-46-8

Elsewhere

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