Cas no 334484-74-1 (Propanoic acid, 3-bromo-2-oxo-, monohydrate (9CI))
334484-74-1 structure
Product Name:Propanoic acid, 3-bromo-2-oxo-, monohydrate (9CI)
CAS No:334484-74-1
MF:C3H5BrO4
MW:184.973400831223
CID:917980
Update Time:2024-06-14
Propanoic acid, 3-bromo-2-oxo-, monohydrate (9CI) Chemical and Physical Properties
Names and Identifiers
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- Propanoic acid, 3-bromo-2-oxo-, monohydrate (9CI)
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- MDL： MFCD00149107
- Inchi： 1S/C3H3BrO3.H2O/c4-1-2(5)3(6)7;/h1H2,(H,6,7);1H2
- InChI Key： RQYDPLZNPJYABO-UHFFFAOYSA-N
- SMILES： C(O)(=O)C(=O)CBr.[H]O[H]
Computed Properties
- Exact Mass: 183.937
- Monoisotopic Mass: 183.937
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 98.4
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 55.4A^2
Experimental Properties
- Melting Point: 79-82
- Boiling Point: 223.4°Cat760mmHg
- Flash Point: 88.9°C
- PSA: 63.60000
- LogP: -0.02930
Propanoic acid, 3-bromo-2-oxo-, monohydrate (9CI) Security Information
- Storage Condition：Cold storage (+4 ° C)
Propanoic acid, 3-bromo-2-oxo-, monohydrate (9CI) Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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