4-Pentenoic acid
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 0.992 g/mL (at 15 °C)
- Melting point
- −22.5 °C
- Boiling point
- 188.5 °C
- logP
- 1.04Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
Identifiers
CAS number
591-80-0SMILES
C=CCCC(=O)OInChIKey
HVAMZGADVCBITI-UHFFFAOYSA-NInChI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h2H,1,3-4H2,(H,6,7)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- δ4-Pentenoic acid
- Allylacetic acid
- NSC 20944
- NSC 9000
- (3-Vinyl)propionic acid
Work with 4-Pentenoic 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
6-Heptenoic acid1119-60-472 % similar
Undecylenic acid112-38-969 % similar
9-Decenoic acid14436-32-969 % similar
3-Butenoic acid625-38-758 % similar
Succinic acid110-15-652 % similar
5-Hexen-2-one109-49-948 % similar
Glutaric acid110-94-148 % similar
Pimelic acid111-16-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds