Cas no 31772-89-1 (2H-Azirine-2-carboxylicacid, 3-methyl-)
31772-89-1 structure
Product Name:2H-Azirine-2-carboxylicacid, 3-methyl-
2H-Azirine-2-carboxylicacid, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Azirine-2-carboxylicacid, 3-methyl-
- 3-methyl-2H-azirine-2-carboxylic acid
- BRN 0385955
- DTXSID10953710
- 3-methyl-2H-azirene-2-carboxylic acid
- AKOS006379452
- 3-methyl-2(2h)-azirine carboxylic acid
- 2H-AZIRINE-2-CARBOXYLIC ACID, 3-METHYL-
- Azirinomycin
- 31772-89-1
-
- Inchi： 1S/C4H5NO2/c1-2-3(5-2)4(6)7/h3H,1H3,(H,6,7)
- InChI Key： NHCHAEIJXKFNRU-UHFFFAOYSA-N
- SMILES： OC(C1C(C)=N1)=O
Computed Properties
- Exact Mass: 99.03205
- Monoisotopic Mass: 99.032028402g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 139
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.66
2H-Azirine-2-carboxylicacid, 3-methyl- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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