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20859-23-8 | Butanedioic acid, 2-bromo-, (2S)-
CAS No: 20859-23-8 Catalog No: AG002JSK MDL No:MFCD00153931
Product Description
Catalog Number:
AG002JSK
Chemical Name:
Butanedioic acid, 2-bromo-, (2S)-
CAS Number:
20859-23-8
Molecular Formula:
C4H5BrO4
Molecular Weight:
196.9841
MDL Number:
MFCD00153931
IUPAC Name:
(2S)-2-bromobutanedioic acid
InChI:
InChI=1S/C4H5BrO4/c5-2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChI Key:
QQWGVQWAEANRTK-REOHCLBHSA-N
SMILES:
OC(=O)C[C@@H](C(=O)O)Br
UNII:
3ISS1PP7TK
Properties
Complexity:
133
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
195.937g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.984g/mol
Monoisotopic Mass:
195.937g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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