Cas no 57337-69-6 (Cyclopentaneheptanoic acid, 2-formyl-5-oxo-, ethyl ester, trans-)
57337-69-6 structure
Product Name:Cyclopentaneheptanoic acid, 2-formyl-5-oxo-, ethyl ester, trans-
CAS No:57337-69-6
MF:C15H24O4
MW:268.348665237427
CID:345729
PubChem ID:71444204
Update Time:2025-04-19
Cyclopentaneheptanoic acid, 2-formyl-5-oxo-, ethyl ester, trans- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentaneheptanoic acid, 2-formyl-5-oxo-, ethyl ester, trans-
- ethyl 7-[(1S,2R)-2-formyl-5-oxocyclopentyl]heptanoate
- 57337-69-6
- DTXSID10852996
-
- Inchi： 1S/C15H24O4/c1-2-19-15(18)8-6-4-3-5-7-13-12(11-16)9-10-14(13)17/h11-13H,2-10H2,1H3/t12-,13-/m0/s1
- InChI Key： PPWXLCSVQFOHIF-STQMWFEESA-N
- SMILES： O=C1CC[C@@H](C=O)[C@@H]1CCCCCCC(=O)OCC
Computed Properties
- Exact Mass: 268.16752
- Monoisotopic Mass: 268.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 10
- Complexity: 311
- 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: 2.1
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
Cyclopentaneheptanoic acid, 2-formyl-5-oxo-, ethyl ester, trans- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
57337-69-6 (Cyclopentaneheptanoic acid, 2-formyl-5-oxo-, ethyl ester, trans-) Related Products
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- 18835-02-4(Ethyl 3-acetyl-4-oxopentanoate)
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- 20826-94-2(ethyl 2-(2-oxocyclopentyl)acetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
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