Basic information
- CAS
59121-26-5- Standard SMILES
CC/C=C/C=C\C=O- InChIKey
SATICYYAWWYRAM-ICWBMWKASA-N- Molecular formula
- C7H10O
- Average molar mass
- 110.15 g/mol
- Monoisotopic mass
- 110.07316494
Names & identifiers
- Preferred name
- cis,trans-2,4-Heptadienal
- IUPAC
- (2Z,4E)-hepta-2,4-dienal
Names & synonyms
cis,trans-2,4-heptadienalDTXSID40131234159121-26-5RefChem:1081912DTXCID401742140(Z,E)-2,4-heptadienal(2Z,4E)-hepta-2,4-dienalcis-heptadienal(Z,E)-2,4-heptadien-1-alSCHEMBL30617405SATICYYAWWYRAM-ICWBMWKASA-N
Database identifiers
- CAS
59121-26-5- PubChem CID
- 6428554
- DTXSID
DTXSID401312341- Nikkaji
- J638.311D
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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