Basic information
- CAS
23916-77-0- Standard SMILES
O=c1ccc(-c2ccccc2)nn1CCO- InChIKey
XHSYJYUUWKZQOW-UHFFFAOYSA-N- Molecular formula
- C12H12N2O2
- Average molar mass
- 216.24 g/mol
- Monoisotopic mass
- 216.08987763
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 2-(2-hydroxyethyl)-6-phenyl-
- IUPAC
- 2-(2-hydroxyethyl)-6-phenylpyridazin-3-one
- English name
- 2-(2-Hydroxyethyl)-6-phenyl-3(2H)-pyridazinone
- Molecular formula
- C12H12N2O2
- Molecular weight
- 216.24
Names & synonyms
23916-77-03(2H)-Pyridazinone, 2-(2-hydroxyethyl)-6-phenyl-BRN 06485562-(Hydroxyethyl)-6-phenyl-3-pyridazone2-(Hydroxyethyl)-6-phenyl-3(2H)-pyridazinoneDTXSID70178629RefChem:269488DTXCID801011202-(2-hydroxyethyl)-6-phenylpyridazin-3(2h)-one2-(2-Hydroxyethyl)-6-phenyl-3(2H)-pyridazinone2-(2-hydroxyethyl)-6-phenylpyridazin-3-oneSCHEMBL3839136
Show more names
XHSYJYUUWKZQOW-UHFFFAOYSA-NDB-329162
Database identifiers
- CAS
23916-77-0- PubChem CID
- 212100
- DTXSID
DTXSID70178629- Nikkaji
- J78.868F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Melting point
- 98 · 98-99 °C
- Boiling point
- 386 · 386.0±44.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 14.39 · 14.39±0.10(Predicted)
Chemistry & industry
Suppliers2 total
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
ANHUI WITOP BIOTECH CO., LTD+8618071025641 · [email protected]
Related reactions
5 records
Compound notes
Loading…