7H-Furo(3,2-g)(1)benzopyran-6-carboxylic acid, 7-oxo-, methyl ester
Basic information
- CAS
70527-59-2- Standard SMILES
COC(=O)c1cc2cc3ccoc3cc2oc1=O- InChIKey
BDODTGBOXYQHLF-UHFFFAOYSA-N- Molecular formula
- C13H8O5
- Average molar mass
- 244.2 g/mol
- Monoisotopic mass
- 244.03717335
Names & identifiers
- Preferred name
- 7H-Furo(3,2-g)(1)benzopyran-6-carboxylic acid, 7-oxo-, methyl ester
- IUPAC
- methyl 7-oxofuro[3,2-g]chromene-6-carboxylate
- English name
- Methyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylate
- Molecular formula
- C13H8O5
- Molecular weight
- 244.2
Names & synonyms
70527-59-27H-Furo(3,2-g)(1)benzopyran-6-carboxylic acid, 7-oxo-, methyl esterMethyl 7-oxo-7H-furo(3,2-g)(1)benzopyran-6-carboxylateMethyl 7-oxo-7H-furo[3,2-g][1]benzopyran-6-carboxylateSCHEMBL11391760DTXSID502207967H-Furo[3,2-g][1]benzopyran-6-carboxylic acid, 7-oxo-, methyl ester
Database identifiers
- CAS
70527-59-2- PubChem CID
- 153169
- DTXSID
DTXSID50220796
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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