Cas no 63144-87-6 (2-PROPENENITRILE, 2-METHYL-3-PROPOXY-)
63144-87-6 structure
Product Name:2-PROPENENITRILE, 2-METHYL-3-PROPOXY-
CAS No:63144-87-6
MF:C7H11NO
MW:125.168341875076
CID:3270265
PubChem ID:145710196
Update Time:2025-04-21
2-PROPENENITRILE, 2-METHYL-3-PROPOXY- Chemical and Physical Properties
Names and Identifiers
-
- 2-PROPENENITRILE, 2-METHYL-3-PROPOXY-
- 63144-87-6
- 2-Methyl-3-propoxyacrylonitrile
-
- Inchi： 1S/C7H11NO/c1-3-4-9-6-7(2)5-8/h6H,3-4H2,1-2H3/b7-6+
- InChI Key： PVNZQRQRWDIVNW-VOTSOKGWSA-N
- SMILES： O(/C=C(/C#N)\C)CCC
Computed Properties
- Exact Mass: 125.084063974Da
- Monoisotopic Mass: 125.084063974Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 140
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 33?2
2-PROPENENITRILE, 2-METHYL-3-PROPOXY- Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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