Hept-3-enal
Basic information
- CAS
89896-73-1- Standard SMILES
CCCC=CCC=O- InChIKey
ORAQCSKNITWHDW-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- Hept-3-enal
- IUPAC
- hept-3-enal
Names & synonyms
DTXSID50871469RefChem:1086402DTXCID80819137Hept-3-enalSCHEMBL1783288SCHEMBL2163222SCHEMBL11550219
Database identifiers
- CAS
89896-73-1- PubChem CID
- 56018
- DTXSID
DTXSID50871469
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.5
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Related reactions
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Compound notes
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