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34347-81-4

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Basic Information
CAS No.: 34347-81-4
Name: 1-Methyl-3-phenyl-1H-pyrazol-5-ol
Article Data: 6
Molecular Structure:
Molecular Structure of 34347-81-4 (1-Methyl-3-phenyl-1H-pyrazol-5-ol)
Formula: C10H10N2O
Molecular Weight: 174.202
Synonyms: 1-Methyl-3-phenyl-1H-pyrazol-5-ol;2,4-Dihydro-2-methyl-5-phenyl-3H-pyrazol-3-one;
Density: 1.178 g/cm3
Melting Point: 213-215 °C
Boiling Point: 294.4 °C at 760 mmHg
Flash Point: 131.9 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 32.67000
LogP: 0.62630
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Specification

The CAS register number of 1-Methyl-3-phenyl-1H-pyrazol-5-ol is 34347-81-4. It also can be called as 1H-Pyrazol-5-ol,1-methyl-3-phenyl- and the systematic name about this chemical is 2,4-Dihydro-2-methyl-5-phenyl-3H-pyrazol-3-on.

Physical properties about 1-Methyl-3-phenyl-1H-pyrazol-5-ol are: (1)ACD/LogP: 1.57; (2)ACD/LogD (pH 5.5): 1.57; (3)ACD/LogD (pH 7.4): 1.57; (4)ACD/BCF (pH 5.5): 9.25; (5)ACD/BCF (pH 7.4): 9.25; (6)ACD/KOC (pH 5.5): 171.03; (7)ACD/KOC (pH 7.4): 171.04; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 23.55Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 49.63 cm3; (14)Molar Volume: 147.7 cm3; (15)Polarizability: 19.67x10-24cm3; (16)Surface Tension: 42.8 dyne/cm; (17)Enthalpy of Vaporization: 53.4 kJ/mol; (18)Boiling Point: 294.4 °C at 760 mmHg; (19)Vapour Pressure: 0.00163 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2\C=C(\c1ccccc1)NN2C
(2)InChI: InChI=1/C10H10N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h2-7,11H,1H3
(3)InChIKey: INOLYMVSZFIBGA-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H10N2O/c1-12-10(13)7-9(11-12)8-5-3-2-4-6-8/h2-7,11H,1H3
(5)Std. InChIKey: INOLYMVSZFIBGA-UHFFFAOYSA-N