3-Butenoic acid
Properties
- Molecular formula
- C4H6O2
- Molar mass
- 86.09 g/mol
- Exact mass
- 86.0368 Da
- Density
- 1.0096 g/mL (at 20 °C)
- Melting point
- −35 °C
- Boiling point
- 169 °C
- logP
- 0.65Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H302 Harmful if swallowed83.3% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501
Identifiers
CAS number
625-38-7SMILES
C=CCC(=O)OInChIKey
PVEOYINWKBTPIZ-UHFFFAOYSA-NInChI
InChI=1S/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Vinylacetic acid
- Acetic acid, ethenyl-
- β-Butenoic acid
- NSC 44546
Reactions
Work with 3-Butenoic 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
4-Pentenoic acid591-80-058 % similar
3-Hexenedioic acid4436-74-257 % similar
6-Heptenoic acid1119-60-452 % similar
Undecylenic acid112-38-950 % similar
9-Decenoic acid14436-32-950 % similar
trans-3-Hexenoic acid1577-18-046 % similar
Glutaconic acid1724-02-344 % similar
Succinic acid110-15-643 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds