Basic information
- Standard SMILES
Cn1oc(=O)c2cc(C(=O)O)cc(C(=O)O)c21- InChIKey
ZXWBCMDQWWVBAK-UHFFFAOYSA-N- Molecular formula
- C10H7NO6
- Average molar mass
- 237.17 g/mol
Names & identifiers
- Preferred name
- 1-Methyl-3-oxo-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylic acid
- IUPAC
- 1-methyl-3-oxo-2,1-benzoxazole-5,7-dicarboxylic acid
Names & synonyms
SCHEMBL113110421-methyl-5,7-dicarboxy-2,1-benzisoxazolin-one1-methyl-3-oxo-1,3-dihydro-2,1-benzoxazole-5,7-dicarboxylic acid2,1-benzisoxazole-5,7-dicarboxylic acid, 1,3-dihydro-1-methyl-3-oxo-
Database identifiers
- PubChem CID
- 23345882
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 381
Related reactions
1 records
Compound notes
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