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160732-12-7 | Propanoic acid, 2-bromo-3-hydroxy-
CAS No: 160732-12-7 Catalog No: AG001V9Z MDL No:MFCD20621582
Product Description
Catalog Number:
AG001V9Z
Chemical Name:
Propanoic acid, 2-bromo-3-hydroxy-
CAS Number:
160732-12-7
Molecular Formula:
C3H5BrO3
Molecular Weight:
168.9740
MDL Number:
MFCD20621582
IUPAC Name:
2-bromo-3-hydroxypropanoic acid
InChI:
InChI=1S/C3H5BrO3/c4-2(1-5)3(6)7/h2,5H,1H2,(H,6,7)
InChI Key:
OIODSHQRJGRDLE-UHFFFAOYSA-N
SMILES:
OCC(C(=O)O)Br
Properties
Complexity:
72.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.942g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.974g/mol
Monoisotopic Mass:
167.942g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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