trans-2-Pentenoic acid
Properties
- Molecular formula
- C5H8O2
- Molar mass
- 100.12 g/mol
- Exact mass
- 100.0524 Da
- Density
- 0.984–0.991 g/mL
- Melting point
- 192–194 °C
- Boiling point
- 174–175 °C
- logP
- 1.04Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H302 Harmful if swallowed87.2% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
Aggregated from 47 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
13991-37-2SMILES
CC/C=C/C(=O)OInChIKey
YIYBQIKDCADOSF-ONEGZZNKSA-NInChI
InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 2-Pentenoic acid, (2E)-
- 2-Pentenoic acid, (E)-
- (2E)-2-Pentenoic acid
- (E)-2-Pentenoic acid
- (E)-Pent-2-enoic acid
- (2E)-Pent-2-enoic acid
Work with trans-2-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
2-Hexenoic acid1191-04-462 % similar
trans-2-Hexenoic acid13419-69-762 % similar
Glutaconic acid1724-02-358 % similar
trans-2-Octenoic acid1871-67-655 % similar
4-Bromocrotonic acid13991-36-154 % similar
Dodec-2-enoic acid32466-54-953 % similar
trans-2-Decenoic acid334-49-653 % similar
2-Nonenoic acid3760-11-053 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.