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CAS Number: 66405-41-2
methyl 2-(4-oxocyclohexyl)acetate

Structure

methyl 2-(4-oxocyclohexyl)acetate
Name: methyl 2-(4-oxocyclohexyl)acetate
Synonyms:
General Information
Product Number: 66405412

CAS Registry Number 66405-41-2
Name:
Cyclohexaneacetic acid, 4-​oxo-​, methyl ester
(4-Oxocyclohexyl)acetic acid methyl ester
4-[(Methoxycarbonyl)methyl]cyclohexanone
Methyl (4-oxocyclohexyl)acetate
Methyl 2-(4-oxocyclohexyl)acetate
Methyl cyclohexanone-4-acetate

 

Chemical Formula: C9H14O3
Exact Mass: 170.09
Molecular Weight: 170.21
m/z: 170.09 (100.0%), 171.10 (10.0%), 172.10 (1.1%)

 

InChI:InChI=1S/C9H14O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h7H,2-6H2,1H3

InChI Key:AEZHUDXZHNLVKG-UHFFFAOYSA-N

Canonical SMILES:COC(=O)CC1CCC(=O)CC1

Specification

98%

References
  1. (1) Seo, Jai Woong; Journal of Medicinal Chemistry 2006, V49(8), P2496-2511 CAPLUS
  2. (2) Gao, Mingzhang; Applied Radiation and Isotopes 2008, V66(4), P523-529 CAPLUS
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