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288401-59-2

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Basic Information
CAS No.: 288401-59-2
Name: 3-(5-ETHYL-2-HYDROXYPHENYL)PYRAZOLE
Molecular Structure:
Molecular Structure of 288401-59-2 (3-(5-ETHYL-2-HYDROXYPHENYL)PYRAZOLE)
Formula: C11H12N2O
Molecular Weight: 188.23
Synonyms: 4-Ethyl-2-(1H-pyrazol-3-yl)phenol;3-(5-Ethyl-2-hydroxyphenyl)pyrazole;
Density: 1.195 g/cm3
Boiling Point: 385.4 °C at 760 mmHg
Flash Point: 186.9 °C
PSA: 48.91000
LogP: 2.34470
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Specification

The Phenol,4-ethyl-2-(1H-pyrazol-3-yl)-, with the CAS registry number 288401-59-2, is also known as 3-(5-Ethyl-2-hydroxyphenyl)pyrazole. This chemical's molecular formula is C11H12N2O and molecular weight is 188.23. What's more, its systematic name is 4-Ethyl-2-(1H-pyrazol-3-yl)phenol.

Physical properties of Phenol,4-ethyl-2-(1H-pyrazol-3-yl)- are: (1)ACD/LogP: 2.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.02; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 48.91 Å2; (9)Index of Refraction: 1.612; (10)Molar Refractivity: 54.8 cm3; (11)Molar Volume: 157.5 cm3; (12)Polarizability: 21.72×10-24 cm3; (13)Surface Tension: 53.5 dyne/cm; (14)Density: 1.195 g/cm3; (15)Flash Point: 186.9 °C; (16)Enthalpy of Vaporization: 65.9 kJ/mol; (17)Boiling Point: 385.4 °C at 760 mmHg; (18)Vapour Pressure: 1.72E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCc1ccc(c(c1)c2cc[nH]n2)O
(2)InChI: InChI=1/C11H12N2O/c1-2-8-3-4-11(14)9(7-8)10-5-6-12-13-10/h3-7,14H,2H2,1H3,(H,12,13)
(3)InChIKey: TZMRUQWCXUZYKL-UHFFFAOYSA-N