chempirical

Cyclopropanecarboxylic acid

C4H6O2CAS 1759-53-186.09 g/mol

Open in Covalent MOL file
OHO
Carboxylic acid

Properties

Molecular formula
C4H6O2
Molar mass
86.09 g/mol
Exact mass
86.0368 Da
Density
0.9154 g/mL (at 0 °C)
Melting point
18.5 °C
Boiling point
183 °C
logP
0.48Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
1759-53-1
SMILES
O=C(O)C1CC1
InChIKey
YMGUBTXCNDTFJI-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c5-4(6)3-1-2-3/h3H,1-2H2,(H,5,6)

Weigh it out

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

Names and synonyms

4 names
  • Cyclopropionic acid
  • Cyclopropylcarboxylic acid
  • Carboxycyclopropane
  • NSC 1112

Reactions

Work with Cyclopropanecarboxylic 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

1,4-Cyclohexanedicarboxylic acid1076-97-7100 % similar 1,4-Cyclohexanedicarboxylic acid619-81-8100 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-9100 % similar Cyclopentanecarboxylic acid3400-45-178 % similar Cyclobutanecarboxylic acid3721-95-778 % similar 1,3-Cyclopentanedicarboxylic acid4056-78-478 % similar 4-Hydroxycyclohexanecarboxylic acid17419-81-775 % similar trans-4-Hydroxycyclohexanecarboxylic acid3685-26-575 % similar

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

Same formula

Crotonic acid107-93-7 Vinyl acetate108-05-4 1,4-Butynediol110-65-6 Diepoxybutane1464-53-5 Allyl formate1838-59-1 3-Oxotetrahydrofuran22929-52-8 3,6-Dioxabicyclo[3.1.0]hexane285-69-8 Rel-(2R,2′R)-2,2′-bioxirane298-18-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook