Basic information
- CAS
55079-86-2- Standard SMILES
CC(/C=C\c1cccnc1)=C/C=C\C(C)=C/C(=O)O- InChIKey
YZHYGSACXMLKRI-ZXNACBPMSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(3-pyridinyl)-, (all-E)-
- IUPAC
- (2Z,4Z,6Z,8Z)-3,7-dimethyl-9-pyridin-3-ylnona-2,4,6,8-tetraenoic acid
Names & synonyms
2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(3-pyridinyl)-, (all-E)-Ro 11-127255079-86-23,7-Dimethyl-9-(3-pyridinyl)-2,4,6,8-nonatetraenoic acid (all-E)-2,4,6,8-Nonatetraenoic acid,3,7-dimethyl-9-(3-pyridinyl)-, (all-E)-
Database identifiers
- CAS
55079-86-2- PubChem CID
- 6439741
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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