chempirical

3-Cyclopentene-1-carboxylic acid

C6H8O2CAS 7686-77-3112.13 g/mol

Open in Covalent MOL file
OHO
AlkeneCarboxylic acid

Properties

Molecular formula
C6H8O2
Molar mass
112.13 g/mol
Exact mass
112.0524 Da
Boiling point
67 °C (at 14 Torr)
logP
1.04Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
7686-77-3
SMILES
O=C(O)C1CC=CC1
InChIKey
XVSYDLITVYBCBD-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1-2,5H,3-4H2,(H,7,8)

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Names and synonyms

5 names
  • 4-Carboxycyclopentene
  • 3-Cyclopentenecarboxylic acid
  • Cyclopent-1-ene-4-carboxylic acid
  • 3-Cyclopentenylcarboxylic acid
  • Cyclopent-3-ene-1-carboxylic acid

Reactions

Work with 3-Cyclopentene-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

Similar compounds

3-Cyclohexene-1-carboxylic acid4771-80-671 % similar (1R)-3-Cyclohexene-1-carboxylic acid5709-98-871 % similar Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-264 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-757 % similar 1,4-Cyclohexanedicarboxylic acid619-81-857 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-957 % similar Cyclopentanecarboxylic acid3400-45-152 % similar Cyclobutanecarboxylic acid3721-95-752 % similar

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

Same formula

3,4-Dihydro-2H-pyran-2-carboxaldehyde100-73-2 Sorbic acid110-44-1 2,5-Dimethyl-3(2H)furanone14400-67-0 Vinyl crotonate14861-06-4 1-Acetoxy-1,3-butadiene1515-76-0 1-Cyclopentene-1-carboxylic acid1560-11-8 3-Methylenecyclobutanecarboxylic acid15760-36-8 5-Methyl-2-furanmethanol3857-25-8

Elsewhere

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