4,5,6-Trimethoxyfuro[3,2-g]chromen-7-one
Basic information
- CAS
18646-71-4- Standard SMILES
COc1c(OC)c2c(OC)c3ccoc3cc2oc1=O- InChIKey
SHOQQSABOUVQLJ-UHFFFAOYSA-N- Molecular formula
- C14H12O6
- Average molar mass
- 276.24 g/mol
- Monoisotopic mass
- 276.0633881
Overview
7H-Furo[3,2-g][1]benzopyran-7-one, 4,5,6-trimethoxy- has been reported in Halfordia kendack with data available.
Names & identifiers
- Preferred name
- 4,5,6-Trimethoxyfuro[3,2-g]chromen-7-one
- IUPAC
- 4,5,6-trimethoxyfuro[3,2-g]chromen-7-one
- English name
- 4,5,6-Trimethoxy-7H-furo[3,2-g][1]benzopyran-7-one
- Molecular formula
- C14H12O6
- Molecular weight
- 276.24
Names & synonyms
Halfordin18646-71-47H-Furo[3,2-g][1]benzopyran-7-one, 4,5,6-trimethoxy-HALFORDIN (14-CD3)4,5,6-trimethoxyfuro[3,2-g]chromen-7-oneSCHEMBL3975535SHOQQSABOUVQLJ-UHFFFAOYSA-NDTXSID401347382XH1637894,5,6-Trimethoxy-7H-furo[3,2-g]chromen-7-one #Q63399611Halfordin【Coumarin】
Show more names
4,5,6-Trimethoxy-7H-furo[3,2-g][1]benzopyran-7-one
Database identifiers
- CAS
18646-71-4- PubChem CID
- 623929
- DTXSID
DTXSID401347382- Nikkaji
- J13.609C
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 67.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 518.3 · 518.3±50.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
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Related reactions
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Compound notes
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