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Home Other Building Blocks 2-Methoxycyclohexanone

2-Methoxycyclohexanone

CAS No.:
7429-44-9
Catalog Number:
AG003HK1
Molecular Formula:
C7H12O2
Molecular Weight:
128.1690
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$170
- +
5g
>95.0%(GC)
1 week
United States
$203
- +
25g
>95.0%(GC)
1 week
United States
$531
- +
Product Description
Catalog Number:
AG003HK1
Chemical Name:
2-Methoxycyclohexanone
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
Properties