5-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
Basic information
- CAS
3380-68-5- Standard SMILES
COc1cc(=O)oc2cc3occc3cc12- InChIKey
IFBJMRYEEKIECT-UHFFFAOYSA-N- Molecular formula
- C12H8O4
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.04225873
Overview
5-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one has been reported in Apium graveolens with data available.
Names & identifiers
- Preferred name
- 5-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one
- IUPAC
- 5-methoxyfuro[3,2-g]chromen-7-one
- English name
- 5-methoxy-7H-furo[3,2-g][1]benzopyran-7-one
- Molecular formula
- C12H8O4
- Molecular weight
- 216.18952
Names & synonyms
4-methoxypsoralen3380-68-55-Methoxy-7H-furo(3,2-g)(1)benzopyran-7-one5-methoxy-7H-furo[3,2-g][1]benzopyran-7-one5-methoxyfuro[3,2-g]chromen-7-one5-methoxy-7h-furo[3,2-g]chromen-7-oneEINECS 222-183-8CHEMBL141006SCHEMBL8440887DTXSID00187466NS000295484-METHOXYFURO(3',2':6,7)COUMARIN
Show more names
7H-Furo[3,2-g][1]benzopyran-7-one, 5-methoxy-
Q63408819
Database identifiers
- CAS
3380-68-5- PubChem CID
- 76912
- DTXSID
DTXSID00187466- ChEMBL
CHEMBL141006- EC Number
- 222-183-8
- Nikkaji
- J45.306D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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