Cas no 72887-20-8 (Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, trans-)
72887-20-8 structure
Product Name:Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, trans-
CAS No:72887-20-8
MF:C11H20O3
MW:200.274703979492
CID:543308
PubChem ID:12555922
Update Time:2025-04-19
Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, trans-
- 72887-20-8
- DTXSID60502393
- Methyl 3-[(1S,2R)-2-methoxycyclohexyl]propanoate
-
- Inchi： 1S/C11H20O3/c1-13-10-6-4-3-5-9(10)7-8-11(12)14-2/h9-10H,3-8H2,1-2H3/t9-,10+/m0/s1
- InChI Key： FIVGNUMMSHPWHT-VHSXEESVSA-N
- SMILES： O(C)[C@@H]1CCCC[C@H]1CCC(=O)OC
Computed Properties
- Exact Mass: 200.1413
- Monoisotopic Mass: 200.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 179
- 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: 2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, trans- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
72887-20-8 (Cyclohexanepropanoic acid, 2-methoxy-, methyl ester, trans-) Related Products
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