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19071-26-2 | Butanedioic acid, 2-bromo-3-hydroxy-
CAS No: 19071-26-2 Catalog No: AG002ERE MDL No:
Product Description
Catalog Number:
AG002ERE
Chemical Name:
Butanedioic acid, 2-bromo-3-hydroxy-
CAS Number:
19071-26-2
Molecular Formula:
C4H5BrO5
Molecular Weight:
212.9835
IUPAC Name:
2-bromo-3-hydroxybutanedioic acid
InChI:
InChI=1S/C4H5BrO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,(H,7,8)(H,9,10)
InChI Key:
NBLBTAVCTSCGBU-UHFFFAOYSA-N
SMILES:
OC(=O)C(C(C(=O)O)O)Br
NSC Number:
142557
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.932g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.983g/mol
Monoisotopic Mass:
211.932g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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