1,2-Heptadienylbenzene
Basic information
- CAS
13633-28-8- Standard SMILES
CCCCC=C=Cc1ccccc1- InChIKey
QQVBUZSBTXMEAV-UHFFFAOYSA-N- Molecular formula
- C13H16
- Average molar mass
- 172.27 g/mol
- Monoisotopic mass
- 172.12520051
Names & identifiers
- Preferred name
- 1,2-Heptadienylbenzene
- IUPAC
- hepta-1,2-dienylbenzene
Names & synonyms
(1,2-heptadienyl)benzene13633-28-81,2-heptadienylbenzene(Hepta-1,2-dien-1-yl)benzenehepta-1,2-dienyl-benzeneSCHEMBL28446913DTXSID10497700
Database identifiers
- CAS
13633-28-8- PubChem CID
- 12425713
- DTXSID
DTXSID10497700- Nikkaji
- J1.105.691A
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
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Compound notes
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