Free Chemical Databases
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[Synonyms]
Methylcyclohexyl acetate
1-Methylcyclohexyl acetate
Cyclohexanol, methyl-, acetate
Cyclohexanol, 1-methyl-, acetate
EINECS 250-096-5
LS-191407
InChI=1/C9H16O2/c1-8(10)11-9(2)6-4-3-5-7-9/h3-7H2,1-2H
30232-11-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 156.22214 [g/mol] Molecular Formula C9H16O2 XLogP 2.5 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 2 Exact Mass 156.11503 MonoIsotopic Mass 156.11503 Topological Polar Surface Area 26.3 Heavy Atom Count 11 Formal Charge 0 Complexity 146 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: (1-methylcyclohexyl) acetate
Canonical SMILES: CC(=O)OC1(CCCCC1)C
InChI: InChI=1/C9H16O2/c1-8(10)11-9(2)6-4-3-5-7-9/h3-7H2,1-2H3
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