Cas no 2034155-49-0 (Potassium 3-cyclopropyl-1,2-oxazole-5-carboxylate)
2034155-49-0 structure
Product Name:Potassium 3-cyclopropyl-1,2-oxazole-5-carboxylate
CAS No:2034155-49-0
MF:C7H6KNO3
MW:191.225742816925
CID:4710562
Update Time:2023-08-16
Potassium 3-cyclopropyl-1,2-oxazole-5-carboxylate Chemical and Physical Properties
Names and Identifiers
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- potassium 3-cyclopropyl-1,2-oxazole-5-carboxylate
- Potassium 3-cyclopropyl-1,2-oxazole-5-carboxylate
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- Inchi： 1S/C7H7NO3.K/c9-7(10)6-3-5(8-11-6)4-1-2-4;/h3-4H,1-2H2,(H,9,10);/q;+1/p-1
- InChI Key： UCKGIRKMFZHXEC-UHFFFAOYSA-M
- SMILES： [K+].O1C(C(=O)[O-])=CC(C2CC2)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 184
- Topological Polar Surface Area: 66.2
Potassium 3-cyclopropyl-1,2-oxazole-5-carboxylate Related Literature
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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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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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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