Phenoxazine-1,9-dicarboxylic acid, 2-amino-3-hydroxy-
Basic information
- CAS
34277-00-4- Standard SMILES
Nc1c(O)cc2c(c1C(=O)O)Nc1c(cccc1C(=O)O)O2- InChIKey
NQTBTSGHHAQCGN-UHFFFAOYSA-N- Molecular formula
- C14H10N2O6
- Average molar mass
- 302.24 g/mol
- Monoisotopic mass
- 302.05388604
Names & identifiers
- Preferred name
- Phenoxazine-1,9-dicarboxylic acid, 2-amino-3-hydroxy-
- IUPAC
- 2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acid
Names & synonyms
Phenoxazine-1,9-dicarboxylic acid, 2-amino-3-hydroxy-34277-00-42-Amino-3-hydroxyphenoxazine-1,9-dicarboxylic acid2-amino-3-hydroxy-10H-phenoxazine-1,9-dicarboxylic acidDTXSID80187843
Database identifiers
- CAS
34277-00-4- PubChem CID
- 5487975
- DTXSID
DTXSID80187843
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 472
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Compound notes
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