Basic information
- Standard SMILES
CCCC=CCC(=O)O- InChIKey
BCYXFRMDZWKZSF-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 3-Heptenoic acid
- IUPAC
- hept-3-enoic acid
Names & synonyms
3-HEPTENOIC ACIDpentenyl acetic acid(E)-3-Heptenoic acidSCHEMBL841088orb2943987SCHEMBL6718044DTXSID701316554DB-128374NS00084450
Database identifiers
- CAS
29901-85-7- PubChem CID
- 34752
- DTXSID
DTXSID701316554
Properties
Computed structural properties
- XLogP
- 1.7
- 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
Safety & regulation
Hazard information
Regulatory Information3-Heptenoic acid: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
1 records
Linked notes
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