Cas no 6275-26-9 (Benzeneacetonitrile,4-methoxy-a-(4-methoxyphenyl)-)
6275-26-9 structure
Product Name:Benzeneacetonitrile,4-methoxy-a-(4-methoxyphenyl)-
CAS No:6275-26-9
MF:C16H15NO2
MW:253.295804262161
CID:519555
PubChem ID:234108
Update Time:2025-04-19
Benzeneacetonitrile,4-methoxy-a-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetonitrile,4-methoxy-a-(4-methoxyphenyl)-
- 2,2-bis(4-methoxyphenyl)acetonitrile
-
- Inchi： 1S/C16H15NO2/c1-18-14-7-3-12(4-8-14)16(11-17)13-5-9-15(19-2)10-6-13/h3-10,16H,1-2H3
- InChI Key： UYVKMNROFWNHHB-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(=CC=1)C(C#N)C1C=CC(=CC=1)OC
Computed Properties
- Exact Mass: 253.11035
- Monoisotopic Mass: 253.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 282
- 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: 3.2
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
Benzeneacetonitrile,4-methoxy-a-(4-methoxyphenyl)- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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