Cas no 52851-21-5 (2-(Ethoxycarbonyl)cyclopentane-1-carboxylate)
52851-21-5 structure
Product Name:2-(Ethoxycarbonyl)cyclopentane-1-carboxylate
CAS No:52851-21-5
MF:C9H13O4
MW:185.197123289108
CID:2830477
PubChem ID:71442026
Update Time:2025-04-21
2-(Ethoxycarbonyl)cyclopentane-1-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclopentanedicarboxylic acid, monoethyl ester
- 2-(Ethoxycarbonyl)cyclopentane-1-carboxylate
- DTXSID70850933
- 52851-21-5
-
- Inchi： 1S/C9H14O4/c1-2-13-9(12)7-5-3-4-6(7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/p-1
- InChI Key： OHAPEVKFVDOBEK-UHFFFAOYSA-M
- SMILES： O(CC)C(C1CCCC1C(=O)[O-])=O
Computed Properties
- Exact Mass: 185.08138389Da
- Monoisotopic Mass: 185.08138389Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 66.4?2
2-(Ethoxycarbonyl)cyclopentane-1-carboxylate Related Literature
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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