Basic information
- CAS
1577-31-7- Standard SMILES
CCCC/C=C\C(=O)O- InChIKey
YURNCBVQZBJDAJ-WAYWQWQTSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Overview
Cis-2-heptenoic acid is a 2-heptenoic acid having the cis configuration.
Names & identifiers
- Preferred name
- 2-Heptenoic acid, (Z)-
- IUPAC
- (Z)-hept-2-enoic acid
- English name
- (Z)-2-Heptenoic acid
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
(Z)-2-Heptenoic acidcis-2-Heptenoic acid(Z)-hept-2-enoic acid2-Heptenoic acid, (Z)-Hept-2c-ensaeure2-Heptenoic acid, cis-5EJ1P4HWDM(2Z)-hept-2-enoic acidhept-2c-enoic acidcis-Hept-2-ensaeure2-Heptenoic acid, (2Z)-cis-hept-2-enoic acid
Show more names
UNII-5EJ1P4HWDMNSC 244946NSC-244946CHEBI:38365RefChem:1977811577-31-7cis-heptenoic acid(Z)-heptenoic acid
Database identifiers
- CAS
1577-31-7- PubChem CID
- 5358355
- ChEBI
CHEBI:38365- UNII
- 5EJ1P4HWDM
- Nikkaji
- J98.010B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 105
Physicochemical properties
- Boiling point
- 117 °C · 117 °C(Press: 16 Torr)
- Density
- 0.94 g/cm3 · 0.940 g/cm3(Temp: 22 °C)
- pka
- 4 · 4+-.0.25(Predicted)
- LogP
- 2.4 · 2.400 (est)
- FDA UNII
- 5 EJ1P4HWDM · 5EJ1P4HWDM
Chemistry & industry
Additional notes
DefinitionChEBI: Cis-2-heptenoic acid is a 2-heptenoic acid having the cis configuration.
Related reactions
3 records
Compound notes
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