Cas no 943925-83-5 (3-Isoxazolecarbonitrile, 5-(2,2-dimethylpropyl)-)
943925-83-5 structure
Product Name:3-Isoxazolecarbonitrile, 5-(2,2-dimethylpropyl)-
CAS No:943925-83-5
MF:C9H12N2O
MW:164.204381942749
CID:2124445
Update Time:2023-08-04
3-Isoxazolecarbonitrile, 5-(2,2-dimethylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-(2,2-dimethyl-propyl)isoxazole-3-carbonitrile
- PNKZJORGRQBSQU-UHFFFAOYSA-N
- 3-Isoxazolecarbonitrile,5-(2,2-dimethylpropyl)-
- 3-Isoxazolecarbonitrile, 5-(2,2-dimethylpropyl)-
- 5-(2,2-Dimethyl-propyl)-isoxazole-3-carbonitrile
-
- Inchi： 1S/C9H12N2O/c1-9(2,3)5-8-4-7(6-10)11-12-8/h4H,5H2,1-3H3
- InChI Key： PNKZJORGRQBSQU-UHFFFAOYSA-N
- SMILES： O1C(=CC(C#N)=N1)CC(C)(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 198
- Topological Polar Surface Area: 49.8
3-Isoxazolecarbonitrile, 5-(2,2-dimethylpropyl)- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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