Basic information
- CAS
1008517-74-5- Standard SMILES
O=c1cc(O)cnn1C1CCCCO1- InChIKey
FYBANGAAMWXVEU-UHFFFAOYSA-N- Molecular formula
- C9H12N2O3
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.08479224
Names & identifiers
- Preferred name
- 5-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
- IUPAC
- 5-hydroxy-2-(oxan-2-yl)pyridazin-3-one
- English name
- 5-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one
- Molecular formula
- C9H12N2O3
- Molecular weight
- 196.2
Names & synonyms
1008517-74-55-Hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one5-Hydroxy-2-(tetrahydro-2H-pyran-2-yl)pyridazin-3(2H)-oneMFCD290481275-Hydroxy-2-(tetrahydro-2H-pyran-2-yl)-3(2H)-pyridazinoneSCHEMBL158414FYBANGAAMWXVEU-UHFFFAOYSA-NDTXSID401196905AC2672AKOS037630327SY2243245-hydroxy-2-(oxan-2-yl)pyridazin-3-one
Show more names
3(2H)-Pyridazinone, 5-hydroxy-2-(tetrahydro-2H-pyran-2-yl)-
DB-1858365-Hydroxy-2-(oxan-2-yl)pyridazin-3(2H)-one5-hydroxy-2-tetrahydropyran-2-yl-pyridazin-3-one5-Hydroxy-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one
Database identifiers
- CAS
1008517-74-5- PubChem CID
- 57950355
- DTXSID
DTXSID401196905
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 346.5 · 346.5±52.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- pka
- 4.5 · 4.50±1.00(Predicted)
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
上海厚博生物科技有限公司+21-18501659228 18501659228
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
15 records
Compound notes
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