4-Oxo-1,2-cyclopentanedicarboxylic acid

C₇H₈O₅CAS 1703-61-3172.14 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone

Properties

Molecular formula: C₇H₈O₅
Molar mass: 172.14 g/mol
Exact mass: 172.0372 Da
Melting point: 189 °C
logP: -0.25Crippen estimate
Polar surface area: 91.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1703-61-3

SMILES

O=C1CC(C(=O)O)C(C(=O)O)C1

InChIKey

CJSMOECOKYPHSC-UHFFFAOYSA-N

InChI

InChI=1S/C7H8O5/c8-3-1-4(6(9)10)5(2-3)7(11)12/h4-5H,1-2H2,(H,9,10)(H,11,12)

Weigh it out

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

Names and synonyms

2 names

1,2-Cyclopentanedicarboxylic acid, 4-oxo-
Cyclopentanone-3,4-dicarboxylic acid

Work with 4-Oxo-1,2-cyclopentanedicarboxylic 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

1,2,3,4-Butanetetracarboxylic acid1703-58-861 % similar (±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-657 % similar trans-1,2-Cyclopentanedicarboxylic acid1461-97-852 % similar 1,2-Cyclohexanedicarboxylic acid1687-30-552 % similar (±)-trans-1,2-Cyclohexanedicarboxylic acid2305-32-052 % similar cis-1,2-Cyclohexanedicarboxylic acid610-09-352 % similar 3,5-Dioxocyclohexanecarboxylic acid42858-60-652 % similar Rel-(1R,2S)-4-cyclohexene-1,2-dicarboxylic acid2305-26-250 % similar

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

Elsewhere

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