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17159-79-4 | Ethyl 4-Oxocyclohexanecarboxylate
CAS No: 17159-79-4 Catalog No: AG0034VH MDL No:MFCD00013285
Product Description
Catalog Number:
AG0034VH
Chemical Name:
Ethyl 4-Oxocyclohexanecarboxylate
CAS Number:
17159-79-4
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00013285
IUPAC Name:
ethyl 4-oxocyclohexane-1-carboxylate
InChI:
InChI=1S/C9H14O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h7H,2-6H2,1H3
InChI Key:
ZXYAWONOWHSQRU-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CCC(=O)CC1
NSC Number:
250674
Properties
Complexity:
176
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling. | The Journal of organic chemistry 20100521 |
| Synthesis of novel conjugates of tetraoxane endoperoxide with bis(quaternary ammonium salts). | Bioscience, biotechnology, and biochemistry 20090101 |
| Practical synthesis of a neuropeptide Y antagonist via stereoselective addition to a ketene. | The Journal of organic chemistry 20051111 |
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