Tiglic acid
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 0.9427 g/mL (at 99.5 °C)
- Melting point
- 64.5 °C
- Boiling point
- 198.5 °C
- logP
- 1.04Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
80-59-1SMILES
C/C=C(C)C(=O)OInChIKey
UIERETOOQGIECD-ONEGZZNKSA-NInChI
InChI=1S/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- 2-Butenoic acid, 2-methyl-, (2E)-
- Crotonic acid, 2-methyl-, (E)-
- 2-Butenoic acid, 2-methyl-, (E)-
- (2E)-2-Methyl-2-butenoic acid
- Cevadic acid
- trans-α,β-Dimethylacrylic acid
- trans-2,3-Dimethylacrylic acid
- trans-2-Methyl-2-butenoic acid
- trans-2-Methylcrotonic acid
- (E)-2-Methylcrotonic acid
- Tiglinic acid
- (E)-2,3-Dimethylacrylic acid
- (E)-α-Methylcrotonic acid
- (E)-2-Methyl-2-butenoic acid
- NSC 44235
- NSC 8999
Work with Tiglic 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
Angelic acid565-63-9100 % similar
Citraconic acid498-23-754 % similar
(E)-2-Methyl-2-pentenoic acid16957-70-352 % similar
2-Methyl-2-pentenoic acid3142-72-152 % similar
3-Methyl-3-penten-2-one565-62-850 % similar
Methyl tiglate6622-76-048 % similar
α-Methylcinnamic acid1199-77-545 % similar
Crocetin27876-94-445 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds