Cas no 98560-72-6 (Ethyl 2-hydroxy-2,3-dimethylbutanoate)
98560-72-6 structure
Product Name:Ethyl 2-hydroxy-2,3-dimethylbutanoate
CAS No:98560-72-6
MF:C8H16O3
MW:160.210843086243
CID:2126150
Update Time:2023-08-04
Ethyl 2-hydroxy-2,3-dimethylbutanoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 2-hydroxy-2,3-dimethylbutanoate
- AFZAUDVCXPWZND-UHFFFAOYSA-N
- Butanoic acid, 2-hydroxy-2,3-dimethyl-, ethyl ester
- Ethyl 2-hydroxy-2,3-dimethylbutanoate
-
- Inchi： 1S/C8H16O3/c1-5-11-7(9)8(4,10)6(2)3/h6,10H,5H2,1-4H3
- InChI Key： AFZAUDVCXPWZND-UHFFFAOYSA-N
- SMILES： OC(C(=O)OCC)(C)C(C)C
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 142
- Topological Polar Surface Area: 46.5
Ethyl 2-hydroxy-2,3-dimethylbutanoate Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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