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Home Carboxys Ethyl 2-oxocyclohexanecarboxylate

Ethyl 2-oxocyclohexanecarboxylate

CAS No.:
1655-07-8
Catalog Number:
AG001W6P
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$30
- +
100g
97%
In Stock USA
United States
$112
- +
500g
97%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG001W6P
Chemical Name:
Ethyl 2-oxocyclohexanecarboxylate
CAS Number:
1655-07-8
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00001631
IUPAC Name:
ethyl 2-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7H,2-6H2,1H3
InChI Key:
FGSGHBPKHFDJOP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCCCC1=O
EC Number:
216-731-5
NSC Number:
18744
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Effects of caffeine on stereoselectivities of high cell density biotransformations of cyclic beta-keto esters with Saccharomyces cerevisiae. Organic & biomolecular chemistry 20071107
Coordination compounds based on 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid. Molecules (Basel, Switzerland) 20070521
A beta-keto ester as a novel, efficient, and versatile ligand for copper(I)-catalyzed C-N, C-O, and C-S coupling reactions. The Journal of organic chemistry 20070511
Enantioselective Michael addition catalyzed by cinchona alkaloids. Chirality 20010101
Properties