Basic information
- CAS
55079-85-1- Standard SMILES
CC(/C=C\c1ccco1)=C/C=C\C(C)=C/C(=O)O- InChIKey
KXIHKMUYBDSXAF-GYJRTLONSA-N- Molecular formula
- C15H16O3
- Average molar mass
- 244.28 g/mol
- Monoisotopic mass
- 244.10994437
Names & identifiers
- Preferred name
- 9-(2-Furanyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid (all-E)-
- IUPAC
- (2Z,4Z,6Z,8Z)-9-(furan-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
Names & synonyms
9-(2-Furanyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid (all-E)-Ro 8-975055079-85-12,4,6,8-Nonatetraenoic acid,9-(2-furanyl)-3,7-dimethyl-, (all-E)-all-trans-9-(2-Furyl)-3,7-dimethyl-2,4,6,8-nonatetraenoic acid2,4,6,8-Nonatetraenoic acid, 9-(2-furanyl)-3,7-dimethyl-, (all-E)-
Database identifiers
- CAS
55079-85-1- PubChem CID
- 6439740
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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