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CAS No.: | 179056-79-2 |
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Name: | 3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C11H10N2O |
Molecular Weight: | 186.213 |
Synonyms: | 3-(1-METHYL-1H-PYRAZOL-3-YL)BENZALDEHYDE;3-(1-Methyl-1H-pyrazol-3-yl)benzaldehyde 90%;3-(3-Formylphenyl)-1-methyl-1H-pyrazole |
Density: | 1.132 g/cm3 |
Boiling Point: | 355.411 °C at 760 mmHg |
Flash Point: | 168.747 °C |
Risk Codes: | Harmful:; "> Harmful:; |
PSA: | 34.89000 |
LogP: | 1.89960 |
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This chemical is called Benzaldehyde, 3-(1-methyl-1H-pyrazol-3-yl)-, and its systematic name is 3-(1-methyl-1H-pyrazol-3-yl)benzaldehyde. With the molecular formula of C11H10N2O, its molecular weight is 186.21. The CAS registry number of this chemical is 179056-79-2.
Other characteristics of the Benzaldehyde, 3-(1-methyl-1H-pyrazol-3-yl)- can be summarised as followings: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 183; (8)ACD/KOC (pH 7.4): 183; (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: 1.594; (14)Molar Refractivity: 55.817 cm3; (15)Molar Volume: 164.533 cm3; (16)Polarizability: 22.127×10-24cm3; (17)Surface Tension: 43.068 dyne/cm; (18)Density: 1.132 g/cm3; (19)Flash Point: 168.747 °C; (20)Enthalpy of Vaporization: 60.056 kJ/mol; (21)Boiling Point: 355.411 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=Cc2cc(c1nn(cc1)C)ccc2
2.InChI: InChI=1/C11H10N2O/c1-13-6-5-11(12-13)10-4-2-3-9(7-10)8-14/h2-8H,1H3
3.InChIKey: SSAPUQDWKCUIAR-UHFFFAOYAM