7h-furo(3,4-g)(1)benzopyran-7-one, 9-methoxy-4-nitro-(8ci)
Basic information
- CAS
1930-56-9- Standard SMILES
COc1c2occc2c([N+](=O)[O-])c2ccc(=O)oc12- InChIKey
CFMUZTVJQKVMAZ-UHFFFAOYSA-N- Molecular formula
- C12H7NO6
- Average molar mass
- 261.19 g/mol
- Monoisotopic mass
- 261.02733694
Names & identifiers
- Preferred name
- 7h-furo(3,4-g)(1)benzopyran-7-one, 9-methoxy-4-nitro-(8ci)
- IUPAC
- 9-methoxy-4-nitrofuro[3,2-g]chromen-7-one
Names & synonyms
1930-56-9NSC 45806DTXSID90172902RefChem:311391DTXCID90953937h-furo(3,4-g)(1)benzopyran-7-one, 9-methoxy-4-nitro-(8ci)7H-Furo(3,4-g)(1)benzopyran-7-one, 9-methoxy-4-nitro-(8CI)(9CI)9-methoxy-4-nitro-7h-furo[3,2-g]chromen-7-oneNSC45806Y88YG855BLNSC-458069-methoxy-4-nitro-7h-furo[3,2-g][1]benzopyran-7-one
Show more names
5-Nitro-8-methoxypsoralen9-Methoxy-4-nitro-7H-furo(3,2-g)(1)benzopyran-7-one8-Methoxy-5-nitropsoralenUNII-Y88YG855BLSCHEMBL498745CHEMBL12889707H-Furo[3, 9-methoxy-4-nitro-7H-Furo(3,4-g)(1)benzopyran-7-one, 9-methoxy-4-nitro- (8CI)(9CI)
Database identifiers
- CAS
1930-56-9- PubChem CID
- 95976
- DTXSID
DTXSID90172902- ChEMBL
CHEMBL1288970- UNII
- Y88YG855BL
- Nikkaji
- J516.201G
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 430
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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