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CAS Number: 13148-83-9
methyl 3-oxocyclohexanecarboxylate

Structure

methyl 3-oxocyclohexanecarboxylate
Name: methyl 3-oxocyclohexanecarboxylate
Synonyms:
General Information
Product Number: 13148839
CAS Number:
13148-83-9
Name:
Cyclohexanecarboxylicacid, 3-oxo-, methyl ester
Synonyms:
3-(Methoxycarbonyl)cyclohexanone;3-Oxocyclohexanecarboxylic acid methyl ester; Methyl3-oxocyclohexanecarboxylate
Chemical Formula: C8H12O3
Exact Mass: 156.08
Molecular Weight: 156.18
m/z: 156.08 (100.0%), 157.08 (8.9%)
Elemental Analysis: C, 61.52; H, 7.74; O, 30.73
MDL Number: MFCD09031996 
InChI: InChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h6H,2-5H2,1H3
InChIKey: MAEFSJWFUPHVPY-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1CCCC(=O)C1
 
 
Thermal Properties Value Condition Note
Boiling Point 140-142 °C Press: 30 Torr (1)IC
Boiling Point 131-131.3 °C Press: 18 Torr (2)CAS
Boiling Point 121-123 °C Press: 16 Torr (3)CAS
Boiling Point 115-120 °C Press: 20 Torr (4)IC

Specification

98%

References
  1. (1) Banwell, Martin G.; Journal of the Chemical Society, Chemical Communications 1983, (23), P1453-4 CAPLUS
  2. (2) House, Herbert O.; Journal of Organic Chemistry 1966, V31(8), P2667-9 CAPLUS
  3. (3) Banerjee, D. K.; Proceedings - Indian Academy of Sciences, Section A 1957, V46A, P80-93 CAPLUS
  4. (4) Hirsch, Jerry A.; Journal of Organic Chemistry 1986, V51(12), P2218-27 CAPLUS
  5. (5) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  6. (6) Seo, Jai Woong; Journal of Medicinal Chemistry 2006, V49(8), P2496-2511 CAPLUS
  7. (7) Dowd, Paul; Tetrahedron 1989, V45(1), P77-90 CAPLUS
  8. (8) Gao, Mingzhang; Applied Radiation and Isotopes 2008, V66(4), P523-529 CAPLUS
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