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Basic Information
CAS No.: 18712-39-5
Name: (1,3,5-TRIMETHYL-1 H-PYRAZOL-4-YL)-METHANOL
Article Data: 4
Molecular Structure:
Molecular Structure of 18712-39-5 ((1,3,5-TRIMETHYL-1 H-PYRAZOL-4-YL)-METHANOL)
Formula: C7H12N2O
Molecular Weight: 140.185
Synonyms: Pyrazole-4-methanol,1,3,5-trimethyl- (6CI,7CI,8CI);
Density: 1.1g/cm3
Boiling Point: 263.8 °C at 760 mmHg
Flash Point: 113.3 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 38.05000
LogP: 0.52920
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Specification

The (1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol, with CAS registry number 18712-39-5, has the systematic name of (1,3,5-trimethyl-1H-pyrazol-4-yl)methanol. Besides this, it is also called 1H-Pyrazole-4-methanol, 1,3,5-trimethyl-. And the chemical formula of this chemical is C7H12N2O.

Physical properties of (1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol: (1)ACD/LogP: -0.10; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 27.05 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 39.55 cm3; (9)Molar Volume: 126.7 cm3; (10)Polarizability: 15.68×10-24cm3; (11)Surface Tension: 34.3 dyne/cm; (12)Enthalpy of Vaporization: 52.99 kJ/mol; (13)Vapour Pressure: 0.00507 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCc1c(nn(c1C)C)C
(2)InChI: InChI=1/C7H12N2O/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3
(3)InChIKey: CIZQKYSGJAQKTI-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C7H12N2O/c1-5-7(4-10)6(2)9(3)8-5/h10H,4H2,1-3H3
(5)Std. InChIKey: CIZQKYSGJAQKTI-UHFFFAOYSA-N