6H-Dibenzo(b,d)pyran-2-carboxylic acid, 4,7,8-trihydroxy-6-oxo-, ethyl ester
Basic information
- CAS
70399-15-4- Standard SMILES
CCOC(=O)c1cc(O)c2oc(=O)c3c(O)c(O)ccc3c2c1- InChIKey
YJSUYUFBBRUKCA-UHFFFAOYSA-N- Molecular formula
- C16H12O7
- Average molar mass
- 316.26 g/mol
- Monoisotopic mass
- 316.05830272
Names & identifiers
- Preferred name
- 6H-Dibenzo(b,d)pyran-2-carboxylic acid, 4,7,8-trihydroxy-6-oxo-, ethyl ester
- IUPAC
- ethyl 4,7,8-trihydroxy-6-oxobenzo[c]chromene-2-carboxylate
Names & synonyms
6H-Dibenzo(b,d)pyran-2-carboxylic acid, 4,7,8-trihydroxy-6-oxo-, ethyl ester70399-15-4DTXSID60220666Ethyl 4,7,8-trihydroxy-6-oxo-6H-dibenzo[b,d]pyran-2-carboxylate
Database identifiers
- CAS
70399-15-4- PubChem CID
- 5488513
- DTXSID
DTXSID60220666
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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