Basic information
- CAS
27394-81-6- Standard SMILES
COc1ccc(C=CC=CC=O)cc1- InChIKey
IMYIHKBGPIBXFG-UHFFFAOYSA-N- Molecular formula
- C12H12O2
- Average molar mass
- 188.22 g/mol
- Monoisotopic mass
- 188.08372962
Names & identifiers
- Preferred name
- CID 98237
- IUPAC
- 5-(4-methoxyphenyl)penta-2,4-dienal
Names & synonyms
SCHEMBL566692DTXSID401294208NS00050326
Database identifiers
- CAS
27394-81-6- PubChem CID
- 98237
- DTXSID
DTXSID401294208
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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