Basic information
- CAS
832125-57-2- Standard SMILES
C=CC(C)=Cc1ccc(C=O)cc1- InChIKey
GDBGKAIOWKJITD-UHFFFAOYSA-N- Molecular formula
- C12H12O
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.088815
Names & identifiers
- Preferred name
- 4-(2-Methylbuta-1,3-dien-1-yl)benzaldehyde
- IUPAC
- 4-(2-methylbuta-1,3-dienyl)benzaldehyde
Names & synonyms
832125-57-24-(2-Methylbuta-1,3-dien-1-yl)benzaldehydeDTXSID70835407
Database identifiers
- CAS
832125-57-2- PubChem CID
- 71416004
- DTXSID
DTXSID70835407
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…