Basic information
- CAS
127806-49-9- Standard SMILES
O=C(O)CN1N=C(c2ccccc2)CCC1=O- InChIKey
GJWQURUJYOKASF-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 5,6-Dihydro-6-oxo-3-phenyl-1(4H)-pyridazineacetic acid
- IUPAC
- 2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)acetic acid
Names & synonyms
SCHEMBL31703214DTXSID801211672AKOS015935660EU-0063382SR-01000102617SR-01000102617-15,6-Dihydro-6-oxo-3-phenyl-1(4H)-pyridazineacetic acid(6-Oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)acetic acid127806-49-9
Database identifiers
- CAS
127806-49-9- PubChem CID
- 6941702
- DTXSID
DTXSID801211672- Nikkaji
- J357.754F
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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