Basic information
- CAS
10542-87-7- Standard SMILES
COc1ccccc1C=CC(C)=O- InChIKey
BTSZEPMWUWYLCP-UHFFFAOYSA-N- Molecular formula
- C11H12O2
- Average molar mass
- 176.21 g/mol
- Monoisotopic mass
- 176.08372962
Names & identifiers
- Preferred name
- o-Anisalacetone
- IUPAC
- 4-(2-methoxyphenyl)but-3-en-2-one
Names & synonyms
2-methoxybenzalacetoneo-anisalacetoneo-methoxybenzylidene acetoneSCHEMBL644527BTSZEPMWUWYLCP-UHFFFAOYSA-NAKOS0174143404-(2-Methoxy-phenyl)-but-3-en-2-oneDB-228166
Database identifiers
- CAS
10542-87-7- PubChem CID
- 139181
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 196
Related reactions
21 records
Compound notes
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