Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-
Basic information
- CAS
64466-49-5- Standard SMILES
COc1ccc(OC)c2c1C=C(C(C)=O)CO2- InChIKey
SUBGAQTXBVGPFA-UHFFFAOYSA-N- Molecular formula
- C13H14O4
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.08920892
Names & identifiers
- Preferred name
- Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-
- IUPAC
- 1-(5,8-dimethoxy-2H-chromen-3-yl)ethanone
Names & synonyms
BRN 12503291-(5,8-Dimethoxy-2H-1-benzopyran-3-yl)ethanone5,8-Dimethoxy-2H-1-benzopyran-3-yl methyl ketoneEthanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-64466-49-5DTXSID902147155-18-03-00253 (Beilstein Handbook Reference)KETONE, 5,8-DIMETHOXY-2H-1-BENZOPYRAN-3-YL METHYLRefChem:341244DTXCID20137206Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)-(9CI)Ethanone, 1-(5,8-dimethoxy-2H-1-benzopyran-3-yl)- (9CI)
Show more names
1-(5,8-Dimethoxy-2H-1-benzopyran-3-yl)ethan-1-one
Database identifiers
- CAS
64466-49-5- PubChem CID
- 47371
- DTXSID
DTXSID90214715- Nikkaji
- J71.214K
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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