9-Oxo-9H-xanthene-3-carboxylic acid
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Basic information
- CAS
106269-39-0- Standard SMILES
O=C(O)c1ccc2c(=O)c3ccccc3oc2c1- InChIKey
NXAIAURQPGLUAY-UHFFFAOYSA-N- Molecular formula
- C14H8O4
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.04225874
Names & identifiers
- Preferred name
- 9-Oxo-9H-xanthene-3-carboxylic acid
- IUPAC
- 9-oxoxanthene-3-carboxylic acid
Names & synonyms
9-Oxo-9H-xanthene-3-carboxylic acid106269-39-09-Oxoxanthene-3-carboxylic acidCHEMBL48616839H-Xanthene-3-carboxylic acid, 9-oxo-SCHEMBL490420SCHEMBL27733179DTXSID60332970NXAIAURQPGLUAY-UHFFFAOYSA-NBDBM50568440DB-186694
Database identifiers
- CAS
106269-39-0- PubChem CID
- 473473
- DTXSID
DTXSID60332970- ChEMBL
CHEMBL4861683- Nikkaji
- J393.680E
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Related reactions
14 records
Compound notes
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