Cas no 89302-79-4 (Benzonitrile, 3-(1,2-propadienyl)-)
89302-79-4 structure
Product Name:Benzonitrile, 3-(1,2-propadienyl)-
CAS No:89302-79-4
MF:C10H7N
MW:141.169282197952
CID:604886
PubChem ID:13257082
Update Time:2025-04-19
Benzonitrile, 3-(1,2-propadienyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-(1,2-propadienyl)-
- 3-propa-1,2-dienylbenzonitrile
- DTXSID50532442
- 89302-79-4
- 3-Propadienylbenzonitrile
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- Inchi： 1S/C10H7N/c1-2-4-9-5-3-6-10(7-9)8-11/h3-7H,1H2
- InChI Key： UZKCLCBCXZYVQW-UHFFFAOYSA-N
- SMILES： N#CC1=CC=CC(C=C=C)=C1
Computed Properties
- Exact Mass: 141.057849228g/mol
- Monoisotopic Mass: 141.057849228g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 2
- Topological Polar Surface Area: 23.8?2
Benzonitrile, 3-(1,2-propadienyl)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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