5,6-Dimethoxy-2H-1-benzopyran-2-one
Basic information
- CAS
5630-38-6- Standard SMILES
COc1ccc2oc(=O)ccc2c1OC- InChIKey
JEDURWYGTYJDPE-UHFFFAOYSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Names & identifiers
- Preferred name
- 5,6-Dimethoxy-2H-1-benzopyran-2-one
- IUPAC
- 5,6-dimethoxychromen-2-one
Names & synonyms
5630-38-6DTXSID106181105,6-Dimethoxy-2H-1-benzopyran-2-oneRefChem:298683DTXCID705688645,6-dimethoxycoumarin2h-1-benzopyran-2-one,5,6-dimethoxy-SCHEMBL31019383
Database identifiers
- CAS
5630-38-6- PubChem CID
- 21790451
- DTXSID
DTXSID10618110
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 274
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Compound notes
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