chempirical

1,1-Cyclopropanedicarboxylic acid monomethyl ester

C6H8O4CAS 113020-21-6144.13 g/mol

Open in Covalent MOL file
OOOHO
Carboxylic acidEster

Properties

Molecular formula
C6H8O4
Molar mass
144.13 g/mol
Exact mass
144.0423 Da
logP
0.02Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
113020-21-6
SMILES
COC(=O)C1(CC1)C(=O)O
InChIKey
IZYOHLOUZVEIOS-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O4/c1-10-5(9)6(2-3-6)4(7)8/h2-3H2,1H3,(H,7,8)

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

Names and synonyms

1 names
  • 1-(Methoxycarbonyl)cyclopropane-1-carboxylic acid

Work with 1,1-Cyclopropanedicarboxylic acid monomethyl ester

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

Dimethyl 1,1-cyclopropanedicarboxylate6914-71-268 % similar 1-Methyl bicyclo[2.2.2]octane-1,4-dicarboxylate18720-35-963 % similar 1-Methyl bicyclo[1.1.1]pentane-1,3-dicarboxylate83249-10-958 % similar 1,1-Cyclopropanedicarboxylic acid598-10-756 % similar Dimethyl diethylmalonate27132-23-652 % similar Dipropylmalonic acid1636-27-747 % similar 1,1-Cyclobutanedicarboxylic acid5445-51-246 % similar 2,2-Diethylpropanedioic acid510-20-345 % similar

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

Same formula

(±)-trans-1,2-Cyclobutanedicarboxylic acid1124-13-6 D-Lactide13076-17-0 Meldrum'S acid2033-24-1 Methyl β-acetylpyruvate20577-61-1 Monoethyl fumarate2459-05-4 2-Carboxyethyl acrylate24615-84-7 2-(2-Propen-1-yl)propanedioic acid2583-25-7 L-Lactide homopolymer33135-50-1

Elsewhere

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