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Keywords
4-Hydroperoxy-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 4-Hydroperoxy-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 4-Hydroperoxy-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Quick Details
- Appearance:
- Application:The Antipyrinyl-4-peroxide, with the CAS registry number 69124-27-2, is also known as 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroperoxy-1,5-dimethyl-2-phenyl-. This chemical's molecular formula is C11H12N2O
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- Transportation:The Antipyrinyl-4-peroxide, with the CAS registry number 69124-27-2, is also known as 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroperoxy-1,5-dimethyl-2-phenyl-. This chemical's molecular formula is C11H12N2O
Superiority:
The Antipyrinyl-4-peroxide, with the CAS registry number 69124-27-2, is also known as 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroperoxy-1,5-dimethyl-2-phenyl-. This chemical's molecular formula is C11H12N2O3 and molecular weight is 220.22458. Its IUPAC name is called 4-hydroperoxy-1,5-dimethyl-2-phenylpyrazol-3-one.
Physical properties of Antipyrinyl-4-peroxide: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 1.47; (5)ACD/BCF (pH 7.4): 1.38; (6)ACD/KOC (pH 5.5): 45.9; (7)ACD/KOC (pH 7.4): 43.04; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 58.46 cm3; (13)Molar Volume: 160.5 cm3; (14)Surface Tension: 61.5 dyne/cm; (15)Density: 1.37 g/cm3; (16)Flash Point: 166.3 °C; (17)Enthalpy of Vaporization: 62.91 kJ/mol; (18)Boiling Point: 351.4 °C at 760 mmHg; (19)Vapour Pressure: 1.53E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)OO
(2)InChI: InChI=1S/C11H12N2O3/c1-8-10(16-15)11(14)13(12(8)2)9-6-4-3-5-7-9/h3-7,15H,1-2H3
(3)InChIKey: PRHVTMZSBSBTNG-UHFFFAOYSA-N
Details:
The Antipyrinyl-4-peroxide, with the CAS registry number 69124-27-2, is also known as 3H-Pyrazol-3-one, 1,2-dihydro-4-hydroperoxy-1,5-dimethyl-2-phenyl-. This chemical's molecular formula is C11H12N2O3 and molecular weight is 220.22458. Its IUPAC name is called 4-hydroperoxy-1,5-dimethyl-2-phenylpyrazol-3-one.
Physical properties of Antipyrinyl-4-peroxide: (1)ACD/LogP: 0.52; (2)ACD/LogD (pH 5.5): 0.52; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 1.47; (5)ACD/BCF (pH 7.4): 1.38; (6)ACD/KOC (pH 5.5): 45.9; (7)ACD/KOC (pH 7.4): 43.04; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Index of Refraction: 1.648; (12)Molar Refractivity: 58.46 cm3; (13)Molar Volume: 160.5 cm3; (14)Surface Tension: 61.5 dyne/cm; (15)Density: 1.37 g/cm3; (16)Flash Point: 166.3 °C; (17)Enthalpy of Vaporization: 62.91 kJ/mol; (18)Boiling Point: 351.4 °C at 760 mmHg; (19)Vapour Pressure: 1.53E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)OO
(2)InChI: InChI=1S/C11H12N2O3/c1-8-10(16-15)11(14)13(12(8)2)9-6-4-3-5-7-9/h3-7,15H,1-2H3
(3)InChIKey: PRHVTMZSBSBTNG-UHFFFAOYSA-N
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