Cas no 71016-13-2 (Methyl 3-cyanoisoxazole-4-carboxylate)
71016-13-2 structure
Product Name:Methyl 3-cyanoisoxazole-4-carboxylate
CAS No:71016-13-2
MF:C6H4N2O3
MW:152.10756111145
CID:874397
Update Time:2023-08-02
Methyl 3-cyanoisoxazole-4-carboxylate Chemical and Physical Properties
Names and Identifiers
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- 4-Isoxazolecarboxylicacid,3-cyano-,methylester(9CI)
- methyl 3-cyanoisoxazole-4-carboxylate
- Methyl 3-cyanoisoxazole-4-carboxylate
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- Inchi： 1S/C6H4N2O3/c1-10-6(9)4-3-11-8-5(4)2-7/h3H,1H3
- InChI Key： ZZYYDDKYLMUCLQ-UHFFFAOYSA-N
- SMILES： O1C=C(C(=O)OC)C(C#N)=N1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 207
- Topological Polar Surface Area: 76.1
Methyl 3-cyanoisoxazole-4-carboxylate Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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