Cas no 75750-46-8 (Acetic acid, cyano-, 1,6-hexanediyl ester)
75750-46-8 structure
Product Name:Acetic acid, cyano-, 1,6-hexanediyl ester
CAS No:75750-46-8
MF:C12H16N2O4
MW:252.266443252563
CID:539025
Update Time:2023-08-03
Acetic acid, cyano-, 1,6-hexanediyl ester Chemical and Physical Properties
Names and Identifiers
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- Acetic acid, cyano-, 1,6-hexanediyl ester
- Hexane-1,6-diylbis(cyanoacetate)
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- Inchi： 1S/C12H16N2O4/c13-7-5-11(15)17-9-3-1-2-4-10-18-12(16)6-8-14/h1-6,9-10H2
- InChI Key： OYAFAJXLVFBJOZ-UHFFFAOYSA-N
- SMILES： O(C(CC#N)=O)CCCCCCOC(CC#N)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 325
- Topological Polar Surface Area: 100
Acetic acid, cyano-, 1,6-hexanediyl ester Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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