2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-
Basic information
- CAS
6468-68-4- Standard SMILES
O=C(O)c1ccc2oc(=O)c(C(=O)O)cc2c1- InChIKey
PDLOKWLOCWHAKN-UHFFFAOYSA-N- Molecular formula
- C11H6O6
- Average molar mass
- 234.16 g/mol
- Monoisotopic mass
- 234.01643791
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-3,6-dicarboxylic acid, 2-oxo-
- IUPAC
- 2-oxochromene-3,6-dicarboxylic acid
- English name
- 2-Oxo-α-chromene-3,6-dicarboxylic acid
- Molecular formula
- C11H6O6
- Molecular weight
- 234.16
Names & synonyms
3,6-Dicarboxycoumarin2-Oxo-2H-1-benzopyran-3,6-dicarboxylic acidBRN 12885226468-68-4SC-3492H-1-BENZOPYRAN-3,6-DICARBOXYLIC ACID, 2-OXO-DTXSID302149715-18-08-00673 (Beilstein Handbook Reference)RefChem:268300DTXCID60137462SCHEMBL11266285SCHEMBL41758585
Show more names
2-Oxo-α-chromene-3,6-dicarboxylic acid
Database identifiers
- CAS
6468-68-4- PubChem CID
- 22966
- DTXSID
DTXSID30214971- Nikkaji
- J41.251A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 410
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Compound notes
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