chempirical

1,3-Cyclopentanedicarboxylic acid

C7H10O4CAS 4056-78-4158.15 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C7H10O4
Molar mass
158.15 g/mol
Exact mass
158.0579 Da
Melting point
121.5 °C
logP
0.57Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
4056-78-4
SMILES
O=C(O)C1CCC(C(=O)O)C1
InChIKey
LNGJOYPCXLOTKL-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O4/c8-6(9)4-1-2-5(3-4)7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)

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

Names and synonyms

1 names
  • Norcamphoric acid

Work with 1,3-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

1,3-Cyclohexanedicarboxylic acid3971-31-180 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-778 % similar 1,4-Cyclohexanedicarboxylic acid619-81-878 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-978 % similar (1S,3R)-3-Aminocyclopentanecarboxylic acid71830-07-467 % similar (1R,3S)-3-Aminocyclopentanecarboxylic acid71830-08-567 % similar Cyclopentanecarboxylic acid3400-45-162 % similar Cyclobutanecarboxylic acid3721-95-762 % similar

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

Same formula

trans-1,2-Cyclopentanedicarboxylic acid1461-97-8 2,2,5-Trimethyl-1,3-dioxane-4,6-dione3709-18-0 Methyl 2-acetyl-3-oxobutanoate4619-66-3 Succinylacetone51568-18-4 Ethyl 2,4-dioxovalerate615-79-2 Dimethyl itaconate617-52-7 Dimethyl 1,1-cyclopropanedicarboxylate6914-71-2 Allylidene diacetate869-29-4

Elsewhere

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