Cas no 61154-28-7 (Cyclohexanepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester, trans-)
61154-28-7 structure
Product Name:Cyclohexanepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester, trans-
CAS No:61154-28-7
MF:C14H24O4
MW:256.337965011597
CID:490342
PubChem ID:71398869
Update Time:2025-04-19
Cyclohexanepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester, trans-
- ethyl (1R,2S)-2-(3-ethoxy-3-oxopropyl)cyclohexane-1-carboxylate
- 61154-28-7
- DTXSID40820264
-
- Inchi： 1S/C14H24O4/c1-3-17-13(15)10-9-11-7-5-6-8-12(11)14(16)18-4-2/h11-12H,3-10H2,1-2H3/t11-,12+/m0/s1
- InChI Key： PSJXLRKQUOGJOL-NWDGAFQWSA-N
- SMILES： O(CC)C([C@@H]1CCCC[C@H]1CCC(=O)OCC)=O
Computed Properties
- Exact Mass: 256.16752
- Monoisotopic Mass: 256.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 275
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Cyclohexanepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester, trans- Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
61154-28-7 (Cyclohexanepropanoic acid, 2-(ethoxycarbonyl)-, ethyl ester, trans-) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 13149-00-3((3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione)
- 7452-79-1(Ethyl 2-methylbutyrate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 2094-73-7(1-Adamantylcarboxylic Acid Ethyl Ester)
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
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