Cas no 152518-87-1 (Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI))
152518-87-1 structure
Product Name:Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI)
CAS No:152518-87-1
MF:C8H14O2
MW:142.195562839508
CID:99210
Update Time:2024-01-24
Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI)
- Cyclopentanecarboxylic acid, 3-methyl-, methyl ester, (1S-cis)- (9CI)
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- Inchi: 1S/C8H14O2/c1-6-3-4-7(5-6)8(9)10-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
- InChI Key: JEKZTDHRSRGRJE-RQJHMYQMSA-N
- SMILES: [C@H]1(C(OC)=O)CC[C@@H](C)C1
Computed Properties
- Exact Mass: 142.09942
- Monoisotopic Mass: 142.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 131
- 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
- Topological Polar Surface Area: 26.3A^2
Experimental Properties
- PSA: 26.3
Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI) Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
152518-87-1 (Cyclopentanecarboxylicacid, 3-methyl-, methyl ester, (1S-cis)- (9CI)) Related Products
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