Cas no 197852-81-6 (Butanedioic acid,2-cyano-3-methyl-, 1,4-diethyl ester, (3S)-)
197852-81-6 structure
Product Name:Butanedioic acid,2-cyano-3-methyl-, 1,4-diethyl ester, (3S)-
CAS No:197852-81-6
MF:C10H15NO4
MW:213.230403184891
CID:117211
PubChem ID:12292462
Update Time:2025-04-18
Butanedioic acid,2-cyano-3-methyl-, 1,4-diethyl ester, (3S)- Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-cyano-3-methyl-, 1,4-diethyl ester, (3S)-
- diethyl 2-cyano-3-methylsuccinate
- Butanedioic acid, 2-cyano-3-methyl-, diethyl ester, (3S)- (9CI)
- 197852-81-6
- diethyl (3S)-2-cyano-3-methylbutanedioate
-
- Inchi： 1S/C10H15NO4/c1-4-14-9(12)7(3)8(6-11)10(13)15-5-2/h7-8H,4-5H2,1-3H3/t7-,8?/m0/s1
- InChI Key： YGEGVBWONVKDHX-JAMMHHFISA-N
- SMILES： O(CC)C([C@@H](C)C(C#N)C(=O)OCC)=O
Computed Properties
- Exact Mass: 213.10015
- Monoisotopic Mass: 213.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 278
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 76.4A^2
- XLogP3: 1.2
Experimental Properties
- PSA: 76.39
Butanedioic acid,2-cyano-3-methyl-, 1,4-diethyl ester, (3S)- Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
197852-81-6 (Butanedioic acid,2-cyano-3-methyl-, 1,4-diethyl ester, (3S)-) Related Products
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