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219312-93-3

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Basic Information
CAS No.: 219312-93-3
Name: 2-Methoxymethyl-3-methylcyclohexan-1-one
Molecular Structure:
Molecular Structure of 219312-93-3 (2-Methoxymethyl-3-methylcyclohexan-1-one)
Formula: C9H16O2
Molecular Weight: 156.22
Synonyms: Cyclohexanone,2-(methoxymethyl)-3-methyl-;2-(Methoxymethyl)-3-methylcyclohexan-1-one;
Density: 0.936g/cm3
Boiling Point: 215.8°Cat760mmHg
Flash Point: 77.3°C
PSA: 26.30000
LogP: 1.63810
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Chemistry

Molecular Structure of 2-Methoxymethyl-3-methylcyclohexan-1-one (CAS NO.219312-93-3):

IUPAC Name: 2-(Methoxymethyl)-3-methylcyclohexan-1-one
Canonical SMILES: CC1CCCC(=O)C1COC
InChI: InChI=1S/C9H16O2/c1-7-4-3-5-9(10)8(7)6-11-2/h7-8H,3-6H2,1-2H3
InChIKey: KEFWPXPDBUJJAD-UHFFFAOYSA-N
Molecular Weight: 156.22214 [g/mol]
Molecular Formula: C9H16O2
XLogP3-AA: 1.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 156.11503
MonoIsotopic Mass: 156.11503
Topological Polar Surface Area: 26.3
Heavy Atom Count: 11
Complexity: 143 
Index of Refraction: 1.435
Molar Refractivity: 43.58 cm3
Molar Volume: 166.8 cm3
Surface Tension: 27.5 dyne/cm
Density: 0.936 g/cm3
Flash Point: 77.3 °C
Enthalpy of Vaporization: 45.21 kJ/mol
Boiling Point: 215.8 °C at 760 mmHg
Vapour Pressure: 0.145 mmHg at 25 °C
Product Categories: pharmacetical

Specification

  2-Methoxymethyl-3-methylcyclohexan-1-one (CAS NO.219312-93-3), its Synonyms are Cyclohexanone,2-(methoxymethyl)-3-methyl- ; 2-(Methoxymethyl)-3-methylcyclohexan-1-one .