Cas no 89465-06-5 (3-Isoxazolecarboxylicacid, 5-methyl-, 2-methylhydrazide)
89465-06-5 structure
Product Name:3-Isoxazolecarboxylicacid, 5-methyl-, 2-methylhydrazide
CAS No:89465-06-5
MF:C6H9N3O2
MW:155.154560804367
CID:729138
Update Time:2024-01-31
3-Isoxazolecarboxylicacid, 5-methyl-, 2-methylhydrazide Chemical and Physical Properties
Names and Identifiers
-
- 3-Isoxazolecarboxylicacid, 5-methyl-, 2-methylhydrazide
- N',5-dimethyl-1,2-oxazole-3-carbohydrazide
- 1-Methyl-2-<5-Methyl-3-isoxazolylcarbonyl>-hydrazin
- 5-Methyl-3-isoxazolecarboxylic acid 2-methylhydrazide
- 5-methyl-isoxazole-3-carboxylic acid N'-methyl-hydrazide
- 3-Isoxazolecarboxylicacid,5-methyl-,2-methylhydrazide(6CI,7CI)
- 3-Isoxazolecarboxylic acid, 5-methyl-, 2-methylhydrazide
-
- Inchi： 1S/C6H9N3O2/c1-4-3-5(9-11-4)6(10)8-7-2/h3,7H,1-2H3,(H,8,10)
- InChI Key： ZFLPNZSUWANLDK-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C(NNC)=O)=N1
Computed Properties
- Exact Mass: 155.06900
- Monoisotopic Mass: 155.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 151
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: nothing
- Topological Polar Surface Area: 67.2A^2
Experimental Properties
- Density: 1.185
- Melting Point: 93-94 °C
- Boiling Point: 265.1°C at 760 mmHg
- Flash Point: 114.1°C
- Refractive Index: 1.502
- PSA: 67.16000
- LogP: 0.62900
- pka: 10.88±0.23(Predicted)
3-Isoxazolecarboxylicacid, 5-methyl-, 2-methylhydrazide Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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