trans-3-Hexenoic acid
Properties
- Molecular formula
- C6H10O2
- Molar mass
- 114.14 g/mol
- Exact mass
- 114.0681 Da
- Melting point
- 12 °C
- Boiling point
- 106.5–108 °C (at 13 Torr)
- logP
- 1.43Crippen estimate
- Polar surface area
- 37.3 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 3
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H314 Causes severe skin burns and eye damage99.9% of notifiers
Aggregated from 1,372 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501
Identifiers
CAS number
1577-18-0SMILES
CC/C=C/CC(=O)OInChIKey
XXHDAWYDNSXJQM-ONEGZZNKSA-NInChI
InChI=1S/C6H10O2/c1-2-3-4-5-6(7)8/h3-4H,2,5H2,1H3,(H,7,8)/b4-3+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- 3-Hexenoic acid, (3E)-
- 3-Hexenoic acid, (E)-
- (3E)-3-Hexenoic acid
- (E)-3-Hexenoic acid
- 3(E)-Hexenoic acid
- (3E)-Hex-3-enoic acid
- (E)-Hex-3-enoic acid
Work with trans-3-Hexenoic acid
Similar compounds
3-Hexenedioic acid4436-74-275 % similar
4,7,10,13,16,19-Docosahexaenoic acid2091-24-959 % similar
Docosahexaenoic acid25167-62-859 % similar
Docosahexaenoic acid6217-54-559 % similar
Eicosapentaenoic acid10417-94-455 % similar
Glutaconic acid1724-02-352 % similar
Alpha-Linolenic acid463-40-152 % similar
trans-2-Pentenoic acid13991-37-248 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.