200,000+ products from a single source!
sales@angenechem.com
1655-07-8 | Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester
CAS No: 1655-07-8 Catalog No: AG001W6P MDL No:MFCD00001631
Product Description
Catalog Number:
AG001W6P
Chemical Name:
Cyclohexanecarboxylic acid, 2-oxo-, ethyl ester
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 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.