Basic information
- CAS
5424-52-2- Standard SMILES
COc1cccc(/C=C/C(C)=O)c1OC- InChIKey
MWAWJSBCZVOFQA-BQYQJAHWSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 4-(2,3-Dimethoxyphenyl)but-3-en-2-one
- IUPAC
- (E)-4-(2,3-dimethoxyphenyl)but-3-en-2-one
Names & synonyms
4-(2,3-dimethoxyphenyl)but-3-en-2-one5424-52-2(3E)-4-(2,3-Dimethoxyphenyl)but-3-en-2-one(E)-4-(2,3-Dimethoxyphenyl)-but-3-en-2-one1293997-15-5NSC12231(E)-4-(2,3-dimethoxyphenyl)but-3-en-2-oneSCHEMBL14950768DTXSID60417812MFCD20286639NSC-12231HS-7315
Show more names
SY458779EN300-1827468
Database identifiers
- CAS
5424-52-2- PubChem CID
- 5354530
- DTXSID
DTXSID60417812
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 235
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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