chempirical

Cyclopentaneacetic acid

C7H12O2CAS 1123-00-8128.17 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C7H12O2
Molar mass
128.17 g/mol
Exact mass
128.0837 Da
Density
1.0216 g/mL (at 18 °C)
Melting point
13.5 °C
Boiling point
228 °C
logP
1.65Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
1123-00-8
SMILES
O=C(O)CC1CCCC1
InChIKey
YVHAIVPPUIZFBA-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O2/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)

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

Names and synonyms

4 names
  • Cyclopentylacetic acid
  • 2-Cyclopentylacetic acid
  • NSC 60134
  • 2-Cyclopentaneacetic acid

Work with Cyclopentaneacetic 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cyclohexaneacetic acid5292-21-795 % similar Cypionic acid140-77-263 % similar 3-Piperidineacetic acid74494-52-361 % similar Cyclohexanebutanoic acid4441-63-860 % similar Cyclohexanepropanoic acid701-97-360 % similar 3-Isobutylglutaric acid75143-89-452 % similar Bicyclo[2.2.1]heptane-2-acetic acid1007-01-850 % similar 3-Methylbutanoic acid503-74-248 % 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 Prenyl acetate1191-16-8 2,2-Dimethyltetrahydropyran-4-one1194-16-7 1-(Tetrahydro-2H-pyran-4-yl)ethanone137052-08-5

Elsewhere

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