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7429-44-9 | 2-Methoxycyclohexanone , 95%
CAS No: 7429-44-9 Catalog No: AG003HK1 MDL No:MFCD00009610
Product Description
Catalog Number:
AG003HK1
Chemical Name:
2-Methoxycyclohexanone , 95%
CAS Number:
7429-44-9
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
MDL Number:
MFCD00009610
IUPAC Name:
2-methoxycyclohexan-1-one
InChI:
InChI=1S/C7H12O2/c1-9-7-5-3-2-4-6(7)8/h7H,2-5H2,1H3
InChI Key:
JYJURPHZXCLFDX-UHFFFAOYSA-N
SMILES:
COC1CCCCC1=O
EC Number:
231-071-8
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.084g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
128.171g/mol
Monoisotopic Mass:
128.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030401 |
| trans-RuH(eta1-BH4)(binap)(1,2-diamine): a catalyst for asymmetric hydrogenation of simple ketones under base-free conditions. | Journal of the American Chemical Society 20020612 |
| Palladium(II)-catalyzed oxidation of aldehydes and ketones. 1. Carbonylation of ketones with carbon monoxide catalyzed by palladium(II) chloride in methanol. | The Journal of organic chemistry 20010112 |
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