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65287-96-9

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Basic Information
CAS No.: 65287-96-9
Name: 4-(2-Hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Article Data: 3
Molecular Structure:
Molecular Structure of 65287-96-9 (4-(2-Hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one)
Formula: C6H10N2O2
Molecular Weight: 142.158
Synonyms: 3H-Pyrazol-3-one, 1,2-dihydro-4-(2-hydroxyethyl)-5-methyl-;
Density: 1.168 g/cm3
Melting Point: 185-188 °C
Hazard Symbols: IrritantXi
PSA: 68.88000
LogP: -0.45380
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Specification

The 4-(2-Hydroxyethyl)-5-methyl-1, 2-dihydro-3H-pyrazol-3-one, with the CAS registry number 65287-96-9, is also known as 4-(2-Hydroxyethyl)-5-methyl-1H-pyrazol-3(2H)-one. This chemical's molecular formula is C6H10N2O2 and molecular weight is 142.16. What's more, its systematic name is 4-(2-Hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-(2-Hydroxyethyl)-5-methyl-1, 2-dihydro-3H-pyrazol-3-one are: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.02; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.1; (8)ACD/KOC (pH 7.4): 22.42; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 35.82 cm3; (15)Molar Volume: 121.6 cm3; (16)Polarizability: 14.2×10-24 cm3; (17)Surface Tension: 36.7 dyne/cm; (18)Density: 1.168 g/cm3.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1\C(=C(/NN1)C)CCO
(2) InChI: InChI=1/C6H10N2O2/c1-4-5(2-3-9)6(10)8-7-4/h9H,2-3H2,1H3,(H2,7,8,10)
(3) InChIKey: DJBJHPDVWKRAJB-UHFFFAOYAG