3-Cyclopentene-1-carboxylic acid

C₆H₈O₂CAS 7686-77-3112.13 g/mol

Open in Covalent MOL file

Alkene Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals10% of notifiers
H314 Causes severe skin burns and eye damage10% of notifiers
H315 Causes skin irritation90% of notifiers
H318 Causes serious eye damage20% of notifiers
H319 Causes serious eye irritation70% of notifiers
H335 May cause respiratory irritation80% of notifiers

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501

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)

Weigh it out

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

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

3-Cyclopentene-1-carboxylic acidproduct

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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