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20859-24-9 | Butanedioic acid, 2-bromo-, 1,4-dimethyl ester, (2S)-
CAS No: 20859-24-9 Catalog No: AG002JSJ MDL No:
Product Description
Catalog Number:
AG002JSJ
Chemical Name:
Butanedioic acid, 2-bromo-, 1,4-dimethyl ester, (2S)-
CAS Number:
20859-24-9
Molecular Formula:
C6H9BrO4
Molecular Weight:
225.0373
IUPAC Name:
dimethyl (2S)-2-bromobutanedioate
InChI:
InChI=1S/C6H9BrO4/c1-10-5(8)3-4(7)6(9)11-2/h4H,3H2,1-2H3/t4-/m0/s1
InChI Key:
RGYMYJITHXYRMA-BYPYZUCNSA-N
SMILES:
COC(=O)C[C@@H](C(=O)OC)Br
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
223.968g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.038g/mol
Monoisotopic Mass:
223.968g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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