AC1LA18U
Basic information
- CAS
53946-49-9- Standard SMILES
O=C(O)c1c[nH]c2c(ccc3cccnc32)c1=O- InChIKey
XZZHOJONZJQARN-UHFFFAOYSA-N- Molecular formula
- C13H8N2O3
- Average molar mass
- 240.21 g/mol
- Monoisotopic mass
- 240.05349212
Names & identifiers
- Preferred name
- AC1LA18U
- IUPAC
- 4-oxo-1H-1,10-phenanthroline-3-carboxylic acid
- English name
- 1,4-dihydro-4-oxo-1,10-phenanthroline-3-carboxylic acid
- Molecular formula
- C13H8N2O3
- Molecular weight
- 240.21422
Names & synonyms
53946-49-9AC1LA18UDTXSID90332701RefChem:313848DTXCID40283794331830-20-74-oxo-1H-1,10-phenanthroline-3-carboxylic acid4-Oxo-1,4-dihydro-1,10-phenanthroline-3-carboxylic acid4-oxo-1,4-dihydro-[1,10]phenanthroline-3-carboxylic acidCHEMBL44754581,4-Dihydro-4-oxo-[1,10]phenanthroline-3-carboxylic acid1,10-Phenanthroline-3-carboxylic acid, 1,4-dihydro-4-oxo-
Show more names
1,4-dihydro-4-oxo-1,10-phenanthroline-3-carboxylic acid
K73A9XJ8TUSCHEMBL703592GLXC-05844BDBM50510129MFCD07357380DB-092855DB-263232CS-0253898
Database identifiers
- CAS
53946-49-9- PubChem CID
- 459803
- DTXSID
DTXSID90332701- ChEMBL
CHEMBL4475458- UNII
- K73A9XJ8TU
- Nikkaji
- J2.260.618B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- solubility
- 2 mg/mL, · DMSO: 2 mg/mL, clear (warmed)
- form
- powder
- color
- white to beige
- UNSPSC Code
- 12352200 · 12352200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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