Cas no 6441-19-6 (Propanenitrile, 2-(3,5-dimethoxyphenoxy)-)
6441-19-6 structure
Product Name:Propanenitrile, 2-(3,5-dimethoxyphenoxy)-
CAS No:6441-19-6
MF:C11H13NO3
MW:207.225823163986
CID:423880
PubChem ID:15953686
Update Time:2025-04-19
Propanenitrile, 2-(3,5-dimethoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile, 2-(3,5-dimethoxyphenoxy)-
- 2-(3,5-dimethoxyphenoxy)propanenitrile
- 6441-19-6
- AKOS008952346
- DTXSID60580439
-
- Inchi： 1S/C11H13NO3/c1-8(7-12)15-11-5-9(13-2)4-10(6-11)14-3/h4-6,8H,1-3H3
- InChI Key： SDRCHNMNTGTFKX-UHFFFAOYSA-N
- SMILES： O(C(C#N)C)C1C=C(C=C(C=1)OC)OC
Computed Properties
- Exact Mass: 207.08959
- Monoisotopic Mass: 207.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 223
- 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: 2
- Topological Polar Surface Area: 51.5?2
Experimental Properties
- PSA: 51.48
Propanenitrile, 2-(3,5-dimethoxyphenoxy)- Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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
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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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