chempirical

Crotonic acid

C4H6O2CAS 3724-65-086.09 g/mol

Open in Covalent MOL file
OOH
AlkeneCarboxylic acid

Properties

Molecular formula
C4H6O2
Molar mass
86.09 g/mol
Exact mass
86.0368 Da
Density
1.018 g/mL (at 15 °C)
Melting point
72 °C
Boiling point
185 °C
logP
0.65Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
3724-65-0
SMILES
CC=CC(=O)O
InChIKey
LDHQCZJRKDOVOX-UHFFFAOYSA-N
InChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)

Weigh it out

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

Names and synonyms

4 names
  • 2-Butenoic acid
  • α-Butenoic acid
  • 3-Methylacrylic acid
  • NSC 206946

Work with Crotonic 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

Sorbic acid110-44-167 % similar Maleic acid110-16-765 % similar Fumaric acid110-17-865 % similar Poly(maleic acid)26099-09-265 % similar Cis,cis-muconic acid1119-72-858 % similar 4-Methyl-2-pentenoic acid10321-71-850 % similar trans-2-Pentenoic acid13991-37-250 % similar Acrylic acid-maleic acid copolymer29132-58-948 % 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 Cyclopropanecarboxylic acid1759-53-1 Allyl formate1838-59-1 3-Oxotetrahydrofuran22929-52-8 3,6-Dioxabicyclo[3.1.0]hexane285-69-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook