chempirical

1-Methylcyclopropanecarboxylic acid

C5H8O2CAS 6914-76-7100.12 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C5H8O2
Molar mass
100.12 g/mol
Exact mass
100.0524 Da
Melting point
29–30 °C
Boiling point
110 °C (at 15 Torr)
logP
0.87Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
6914-76-7
SMILES
CC1(C(=O)O)CC1
InChIKey
DIZKLZKLNKQFGB-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)

Weigh it out

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

Names and synonyms

4 names
  • Cyclopropanecarboxylic acid, 1-methyl-
  • 1-Methylcyclopropane-1-carboxylic acid
  • 1-Methylcyclopropanoic acid
  • 1-Methylcyclopropan-1-carboxylic acid

Work with 1-Methylcyclopropanecarboxylic 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

Dimethylolpropionic acid4767-03-765 % similar Dimethylmalonic acid595-46-050 % similar 1,1-Cyclopropanedicarboxylic acid598-10-750 % similar 2,2-Dimethylpentanoic acid1185-39-348 % similar 2,2-Dimethylsuccinic acid597-43-348 % similar Dipropylmalonic acid1636-27-746 % similar Hydroxypivalic acid4835-90-946 % similar 2,2-Dimethylbutanoic acid595-37-946 % similar

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

Same formula

Vinyl propionate105-38-4 Isopropenyl acetate108-22-5 Gamma-valerolactone108-29-2 Glutaraldehyde111-30-8 Acetylacetone123-54-6 trans-2-Pentenoic acid13991-37-2 Ethyl acrylate140-88-5 Methyl cyclopropanecarboxylate2868-37-3

Elsewhere

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