6,7-Dimethoxy-4H-1-benzopyran-4-one
Basic information
- CAS
58511-89-0- Standard SMILES
COc1cc2occc(=O)c2cc1OC- InChIKey
AVEFEKKVKSUABY-UHFFFAOYSA-N- Molecular formula
- C11H10O4
- Average molar mass
- 206.19 g/mol
- Monoisotopic mass
- 206.0579088
Overview
6,7-Dimethoxy-4H-1-benzopyran-4-one has been reported in Salicornia maritima, Salicornia europaea, and Acicarpha tribuloides with data available.
Names & identifiers
- Preferred name
- 6,7-Dimethoxy-4H-1-benzopyran-4-one
- IUPAC
- 6,7-dimethoxychromen-4-one
- English name
- 6,7-Dimethoxychromone
- Molecular formula
- C11H10O4
- Molecular weight
- 206.19
Names & synonyms
58511-89-06,7-Dimethoxy-4H-chromen-4-one6,7-dimethoxychromen-4-one6,7-Dimethoxy-4H-1-benzopyran-4-one6,7-Dimethoxychromone6,7-DimethoxychromonSCHEMBL17237782DTXSID00618785DB-2964094H-1-Benzopyran-4-one, 6,7-diMethoxy-
Database identifiers
- CAS
58511-89-0- PubChem CID
- 21853370
- DTXSID
DTXSID00618785- Nikkaji
- J89.983F
Properties
Computed structural properties
- XLogP
- 1.7
- 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
Physicochemical properties
- Melting point
- 163 °C · 163 °C
- Boiling point
- 349.8 · 349.8±42.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
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