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24730-90-3

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Basic Information
CAS No.: 24730-90-3
Name: 4-(Hydroxymethyl)-4-methylcyclohexanone
Article Data: 3
Molecular Structure:
Molecular Structure of 24730-90-3 (4-(Hydroxymethyl)-4-methylcyclohexanone)
Formula: C8H14O2
Molecular Weight: 142.198
Synonyms: (2-Methylpyridin-4-yl)methylhydrazine;
Density: 1.016 g/cm3
Boiling Point: 238.545 °C at 760 mmHg
Flash Point: 97.414 °C
PSA: 37.30000
LogP: 1.12810
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Specification

The 4-(Hydroxymethyl)-4-methyl-cyclohexanone, with the CAS registry number 24730-90-3, is also known as Cyclohexanone, 4-(hydroxymethyl)-4-methyl-. This chemical's molecular formula is C8H14O2 and molecular weight is 142.1956. What's more, its IUPAC name and systematic name are the same which is called (2-Methylpyridin-4-yl)methylhydrazine.

Physical properties about 4-(Difluoromethyl)benzoic acid: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 13.986; (5)ACD/KOC (pH 7.4): 13.986; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 37.3 Å2; (10)Index of Refraction: 1.464; (11)Molar Refractivity: 38.643 cm3; (12)Molar Volume: 139.945 cm3; (13)Surface Tension: 34.552 dyne/cm; (14)Density: 1.016 g/cm3; (15)Flash Point: 97.414 °C; (16)Enthalpy of Vaporization: 55.253 kJ/mol; (17)Boiling Point: 238.545 °C at 760 mmHg; (18)Vapour Pressure: 0.007 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC1(CCC(=O)CC1)CO
(2) InChI: InChI=1/C8H14O2/c1-8(6-9)4-2-7(10)3-5-8/h9H,2-6H2,1H3
(3) InChIKey: QABRYCPHHDMONB-UHFFFAOYAP