Cas no 152193-02-7 (Butanedioic acid,2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)- (9CI))
152193-02-7 structure
Product Name:Butanedioic acid,2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)- (9CI)
CAS No:152193-02-7
MF:C11H17NO4
MW:227.2569835186
CID:99328
PubChem ID:45116949
Update Time:2025-04-18
Butanedioic acid,2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Butanedioic acid,2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)- (9CI)
- Butanedioic acid, 2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)-
- DTXSID601172688
- 152193-02-7
- Butanedioic acid, 2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)- (9CI)
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- Inchi： 1S/C11H17NO4/c1-5-15-9(13)8(3)11(4,7-12)10(14)16-6-2/h8H,5-6H2,1-4H3/t8-,11-/m0/s1
- InChI Key： GBHOITGWOMPVEV-KWQFWETISA-N
- SMILES： O(CC)C([C@](C#N)(C)[C@H](C(=O)OCC)C)=O
Computed Properties
- Exact Mass: 227.11581
- Monoisotopic Mass: 227.116
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 317
- 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
- Topological Polar Surface Area: 76.4A^2
- XLogP3: 1.5
Experimental Properties
- PSA: 76.39
Butanedioic acid,2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)- (9CI) Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
152193-02-7 (Butanedioic acid,2-cyano-2,3-dimethyl-, diethyl ester, (R*,R*)- (9CI)) Related Products
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