Basic information
- CAS
82701-91-5- Standard SMILES
O=C1C(=O)c2ncccc2-c2ncccc21- InChIKey
JBLPWFLKCBTNBV-UHFFFAOYSA-N- Molecular formula
- C12H6N2O2
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.04292744
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,7-Phenanthroline-5,6-dione
- IUPAC
- 1,7-phenanthroline-5,6-dione
- English name
- 1,7-phenanthroline-5,6-dione
- Molecular weight
- 0
Names & synonyms
1,7-Phenanthroline-5,6-dione82701-91-51,7-PadNSC-370169A7N9X9RN851,7-phenanthrolinequinoneDTXSID00231973RefChem:73720DTXCID30154464NSC370169NSC 370169UNII-A7N9X9RN85
Show more names
SCHEMBL4606261,7-phenanthroline-5,6-quinoneDB-180587
Database identifiers
- CAS
82701-91-5- PubChem CID
- 100795
- DTXSID
DTXSID00231973- UNII
- A7N9X9RN85
- Nikkaji
- J748.188H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Physicochemical properties
- FDA UNII
- 7 N9X9RN85 · A7N9X9RN85
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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