3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl- supplier

Name
5-(HYDROXYMETHYL)-6-PHENYL-4,5-DIHYDRO-3(2H)-PYRIDAZINONE
EINECS
CAS No. 23239-13-6
Article Data3
CAS DataBase
Density 1.3 g/cm³
Solubility
Melting Point 163-165 °C
Formula C₁₁H₁₂N₂O₂
Boiling Point
Molecular Weight 204.22518
Flash Point
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi
Synonyms NSC 125006;
PSA 61.69000
LogP 0.28350

3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl- Specification

The 3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl- is an organic compound with the formula C₁₁H₁₂N₂O₂. The IUPAC name of this chemical is 4-(hydroxymethyl)-3-phenyl-4,5-dihydro-1H-pyridazin-6-one. With the CAS registry number 23239-13-6, it is also named as 4,5-Dihydro-5-(hydroxymethyl)-6-phenyl-3(2H)-pyridazinone.

Physical properties about 3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl- are: (1)ACD/LogP: -0.70; (2)ACD/LogD (pH 5.5): -0.7; (3)ACD/LogD (pH 7.4): -0.7; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 9.92; (7)ACD/KOC (pH 7.4): 9.92; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 41.9 Å²; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 55.95 cm³; (14)Molar Volume: 156.6 cm³; (15)Polarizability: 22.18×10^-24cm³; (16)Surface Tension: 51.8 dyne/cm; (17)Density: 1.3 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2N/N=C(/c1ccccc1)C(CO)C2
(2)InChI: InChI=1/C11H12N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,15)
(3)InChIKey: UAYIYEKRCXWKAR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H12N2O2/c14-7-9-6-10(15)12-13-11(9)8-4-2-1-3-5-8/h1-5,9,14H,6-7H2,(H,12,15)
(5)Std. InChIKey: UAYIYEKRCXWKAR-UHFFFAOYSA-N

Product Name

5-(HYDROXYMETHYL)-6-PHENYL-4,5-DIHYDRO-3(2H)-PYRIDAZINONE

3(2H)-Pyridazinone,4,5-dihydro-5-(hydroxymethyl)-6-phenyl- Specification

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