3,4,5-Trihydroxybenzoic acid-quinolin-8-ol(1:1)
Basic information
- CAS
5326-62-5- Standard SMILES
O=C(O)c1cc(O)c(O)c(O)c1.Oc1cccc2cccnc12- InChIKey
RVMFWRIAOLMUHY-UHFFFAOYSA-N- Molecular formula
- C16H13NO6
- Average molar mass
- 315.28 g/mol
- Monoisotopic mass
- 315.07428713
Names & identifiers
- Preferred name
- 3,4,5-Trihydroxybenzoic acid-quinolin-8-ol(1:1)
- IUPAC
- quinolin-8-ol;3,4,5-trihydroxybenzoic acid
Names & synonyms
5326-62-5NSC 40463,4,5-trihydroxybenzoic acid- quinolin-8-ol(1:1)NSC4046DTXSID70277767NSC-40463,4,5-Trihydroxybenzoic acid--quinolin-8-ol (1/1)
Database identifiers
- CAS
5326-62-5- PubChem CID
- 220772
- DTXSID
DTXSID70277767
Properties
Computed structural properties
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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