Cas no 62934-87-6 (Pentanedioic acid, 2-cyano-2-(2-cyanoethyl)-3,3-dimethyl-, diethyl ester)
62934-87-6 structure
Product Name:Pentanedioic acid, 2-cyano-2-(2-cyanoethyl)-3,3-dimethyl-, diethyl ester
CAS No:62934-87-6
MF:C15H22N2O4
MW:294.346184253693
CID:428652
PubChem ID:71381809
Update Time:2025-04-19
Pentanedioic acid, 2-cyano-2-(2-cyanoethyl)-3,3-dimethyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2-cyano-2-(2-cyanoethyl)-3,3-dimethyl-, diethyl ester
- diethyl 2-cyano-2-(2-cyanoethyl)-3,3-dimethylpentanedioate
- 62934-87-6
- DTXSID90804231
-
- Inchi： 1S/C15H22N2O4/c1-5-20-12(18)10-14(3,4)15(11-17,8-7-9-16)13(19)21-6-2/h5-8,10H2,1-4H3
- InChI Key： DHAXTJUXWSQJBH-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)(CCC#N)C(C)(C)CC(=O)OCC)=O
Computed Properties
- Exact Mass: 294.15806
- Monoisotopic Mass: 294.15795719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 10
- Complexity: 480
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 100?2
Experimental Properties
- PSA: 100.18
Pentanedioic acid, 2-cyano-2-(2-cyanoethyl)-3,3-dimethyl-, diethyl ester Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
62934-87-6 (Pentanedioic acid, 2-cyano-2-(2-cyanoethyl)-3,3-dimethyl-, diethyl ester) Related Products
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