Basic information
- CAS
138506-02-2- Standard SMILES
O=c1cc(-c2ccccc2)[nH]c2ccc(S(=O)(=O)O)cc12- InChIKey
AACAFHYXCWGSTL-UHFFFAOYSA-N- Molecular formula
- C15H11NO4S
- Average molar mass
- 301.3 g/mol
- Monoisotopic mass
- 301.04087901
Names & identifiers
- Preferred name
- 6-Quinolinesulfonic acid, 4-hydroxy-2-phenyl-
- IUPAC
- 4-oxo-2-phenyl-1H-quinoline-6-sulfonic acid
Names & synonyms
138506-02-26-Quinolinesulfonic acid, 4-hydroxy-2-phenyl-DTXSID00303265RefChem:309390DTXCID902543984-HYDROXY-2-PHENYLQUINOLINE-6-SULFONIC ACIDNSC1576004-oxo-2-phenyl-1,4-dihydroquinoline-6-sulfonic acidSCHEMBL6529364NSC-157600
Database identifiers
- CAS
138506-02-2- PubChem CID
- 291998
- DTXSID
DTXSID00303265
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 543
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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