Cas no 5338-59-0 (Benzenepentanenitrile,4-methoxy-d-oxo-a,b-diphenyl-)
5338-59-0 structure
Product Name:Benzenepentanenitrile,4-methoxy-d-oxo-a,b-diphenyl-
CAS No:5338-59-0
MF:C24H21NO2
MW:355.429046392441
CID:379091
PubChem ID:220429
Update Time:2025-04-19
Benzenepentanenitrile,4-methoxy-d-oxo-a,b-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepentanenitrile,4-methoxy-d-oxo-a,b-diphenyl-
- 5-(4-methoxyphenyl)-5-oxo-2,3-diphenylpentanenitrile
- 5-(4-methoxyphenyl)-5-oxo-2,3-diphenyl-pentanenitrile
- 4-P-ANISOYL-2,3-DIPHENYLBUTYRONITRILE
- 5338-59-0
- NSC404305
- NSC-404305
- DTXSID10277620
- NSC3178
- NSC-3178
-
- Inchi： 1S/C24H21NO2/c1-27-21-14-12-20(13-15-21)24(26)16-22(18-8-4-2-5-9-18)23(17-25)19-10-6-3-7-11-19/h2-15,22-23H,16H2,1H3
- InChI Key： ICPIEEOWUSSCGW-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)OC)CC(C1C=CC=CC=1)C(C#N)C1C=CC=CC=1
Computed Properties
- Exact Mass: 355.15733
- Monoisotopic Mass: 355.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 27
- Rotatable Bond Count: 7
- Complexity: 502
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.6
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- Density: 1.143
- Boiling Point: 557.9°C at 760 mmHg
- Flash Point: 240°C
- Refractive Index: 1.596
- PSA: 50.09
- LogP: 5.35918
Benzenepentanenitrile,4-methoxy-d-oxo-a,b-diphenyl- Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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