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7429-44-9,MFCD00009610
Catalog No.:AA003HH9
7429-44-9 | 2-Methoxycyclohexanone , 95%
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1g
1 week  
$169.00
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5g
>95.0%(GC)
1 week  
$195.00
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25g
>95.0%(GC)
1 week  
$482.00
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HH9
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
Computed 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  

Synonyms
 
2-methoxycyclohexanone 
2-Methoxycyclohexanone 
ACMC-1BITU 
AC1Q4FFG 
AC1Q4FFH 
AC1Q6EPG 
2-methoxy-1-cyclohexanone 
AC1L38SH 
(+)-2-methoxycyclohexanone 
(RS)-2-methoxycyclohexanone 
racemic 2-methoxycyclohexanone 
2-Methoxycyclohexanone, 97% 
7429-44-9 
SCHEMBL181970 
2-METHOXY CYCLOHEXANONE 
(+/-)-2-methoxycyclohexanone 
2-Methoxycyclohexanone , 95% 
CTK5D9682 
ANW-36459 
MFCD00009610 
AKOS009156954 
NE10667 
AN-19398 
Cyclohexanone, 2-methoxy- 
DB-055856 
TC-125204 
FT-0612835 
M1171 
EN300-42158 
A809634 
I14-53080 
C7H12O2 
AR-1E3182 
C7-H12-O2 
2-methoxycyclohexan-1-one 
CID110998 
155320-76-6 
93973-59-2 
JYJURPHZXCLFDX-UHFFFAOYSA-N 
87938-34-9 
methoxycyclohexanone 
EINECS 231-071-8 
2-Methoxy-cyclohexanone 
Literature

Title: Infrared spectroscopy and theoretical calculations as tools for the conformational analysis of 2-methoxycyclohexanone.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20030401

Title: trans-RuH(eta1-BH4)(binap)(1,2-diamine): a catalyst for asymmetric hydrogenation of simple ketones under base-free conditions.

Journal: Journal of the American Chemical Society 20020612

Title: Palladium(II)-catalyzed oxidation of aldehydes and ketones. 1. Carbonylation of ketones with carbon monoxide catalyzed by palladium(II) chloride in methanol.

Journal: The Journal of organic chemistry 20010112

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