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206860-50-6 | Propanoic acid, 3-bromo-2-oxo-, hydrate (1:?)
CAS No: 206860-50-6 Catalog No: AG002IQD MDL No:MFCD00149107
Product Description
Catalog Number:
AG002IQD
Chemical Name:
Propanoic acid, 3-bromo-2-oxo-, hydrate (1:?)
CAS Number:
206860-50-6
Molecular Formula:
C3H5BrO4
Molecular Weight:
184.9734
MDL Number:
MFCD00149107
IUPAC Name:
3-bromo-2-oxopropanoic acid;hydrate
InChI:
InChI=1S/C3H3BrO3.H2O/c4-1-2(5)3(6)7;/h1H2,(H,6,7);1H2
InChI Key:
RQYDPLZNPJYABO-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)CBr.O
Properties
Complexity:
98.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.937g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.973g/mol
Monoisotopic Mass:
183.937g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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