Cas no 35260-97-0 (Propanedinitrile, (1-ethoxybutylidene)-)
35260-97-0 structure
Product Name:Propanedinitrile, (1-ethoxybutylidene)-
CAS No:35260-97-0
MF:C9H12N2O
MW:164.204381942749
CID:1469422
PubChem ID:11159508
Update Time:2025-04-20
Propanedinitrile, (1-ethoxybutylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Propanedinitrile, (1-ethoxybutylidene)-
- 2-(1-ethoxybutylidene)malononitrile
- 2-(1-ethoxybutylidene)propanedinitrile
- RQUBFCKHWLKLRV-UHFFFAOYSA-N
- 35260-97-0
- DTXSID401284940
- 2-(1-ethoxy-butylidene)-malononitrile
- SCHEMBL6205248
-
- Inchi： 1S/C9H12N2O/c1-3-5-9(12-4-2)8(6-10)7-11/h3-5H2,1-2H3
- InChI Key： RQUBFCKHWLKLRV-UHFFFAOYSA-N
- SMILES： O(CC)/C(=C(\C#N)/C#N)/CCC
Computed Properties
- Exact Mass: 164.09506
- Monoisotopic Mass: 164.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 56.8?2
Experimental Properties
- PSA: 56.81
Propanedinitrile, (1-ethoxybutylidene)- Related Literature
-
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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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
35260-97-0 (Propanedinitrile, (1-ethoxybutylidene)-) Related Products
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