Basic information
- CAS
892153-67-2- Standard SMILES
COC(=O)/C=C/CCC/C=C/c1ccc(OC)cc1- InChIKey
ZXLOXONKRYFTDA-CDJQDVQCSA-N- Molecular formula
- C16H20O3
- Average molar mass
- 260.33 g/mol
- Monoisotopic mass
- 260.1412445
Names & identifiers
- Preferred name
- Methyl 8-(4-methoxyphenyl)-2,7-octadienoate
- IUPAC
- methyl (2E,7E)-8-(4-methoxyphenyl)octa-2,7-dienoate
Names & synonyms
AKOS024406471METHYL 8-(4-METHOXYPHENYL)-2,7-OCTADIENOATE
Database identifiers
- CAS
892153-67-2- PubChem CID
- 6138366
- EC Number
- 123-759-0
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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