Cas no 75689-09-7 (4-Bromo-2-(methoxyimino)-3-oxobutanoic acid)
75689-09-7 structure
Product Name:4-Bromo-2-(methoxyimino)-3-oxobutanoic acid
CAS No:75689-09-7
MF:C5H6BrNO4
MW:224.009440898895
CID:2674605
PubChem ID:53651215
Update Time:2025-04-21
4-Bromo-2-(methoxyimino)-3-oxobutanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Bromo-2-methoxyimino-3-oxobutyric acid
- 4-bromo-2-methoxyiminoacetoacetic acid
- 4-BROMO-2-(METHOXYIMINO)-3-OXOBUTANOIC ACID
- DB-205776
- 537693-38-2
- AMTTUPGTZVAKBF-UHFFFAOYSA-N
- 4-bromo-2-methoxyimino-3-oxo-butyric acid
- DTXSID20705686
- 4-bromo-2-methoxyimino-3-oxo butyric acid
- SCHEMBL4811123
- 75689-09-7
- 4-Bromo-2-(methoxyimino)-3-oxobutanoic acid
-
- Inchi： 1S/C5H6BrNO4/c1-11-7-4(5(9)10)3(8)2-6/h2H2,1H3,(H,9,10)
- InChI Key： AMTTUPGTZVAKBF-UHFFFAOYSA-N
- SMILES： BrCC(C(C(=O)O)=NOC)=O
Computed Properties
- Exact Mass: 222.94802Da
- Monoisotopic Mass: 222.94802Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 201
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.5
- Topological Polar Surface Area: 76?2
4-Bromo-2-(methoxyimino)-3-oxobutanoic acid Related Literature
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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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