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Basic Information
CAS No.: 154927-01-2
Name: 1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE
Molecular Structure:
Molecular Structure of 154927-01-2 (1-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBALDEHYDE)
Formula: C11H10N2O
Molecular Weight: 186.213
Synonyms: 1-Methyl-5-phenyl-1H-pyrazole-4-carboxaldehyde;
Density: 1.13 g/cm3
Melting Point: 700℃
Boiling Point: 356.4 °C at 760 mmHg
Flash Point: 169.4 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 34.89000
LogP: 1.89960
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Specification

The 1H-Pyrazole-4-carboxaldehyde,1-methyl-5-phenyl- has CAS registry number 154927-01-2. This chemical's molecular formula is C11H10N2O and molecular weight is 186.21. What's more, its systematic name is 1-methyl-5-phenyl-1H-pyrazole-4-carbaldehyde.

Physical properties of 1H-Pyrazole-4-carboxaldehyde,1-methyl-5-phenyl- are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.68; (6)ACD/BCF (pH 7.4): 3.68; (7)ACD/KOC (pH 5.5): 88.52; (8)ACD/KOC (pH 7.4): 88.52; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.89 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 55.81 cm3; (15)Molar Volume: 164.5 cm3; (16)Polarizability: 22.12×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Density: 1.13 g/cm3; (19)Flash Point: 169.4 °C; (20)Enthalpy of Vaporization: 60.17 kJ/mol; (21)Boiling Point: 356.4 °C at 760 mmHg; (22)Vapour Pressure: 2.92E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cnn(c2c1ccccc1)C
(2)Std. InChI: InChI=1S/C11H10N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-8H,1H3
(3)Std. InChIKey: DLMVCAXLQMJYHP-UHFFFAOYSA-N