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129006-24-2 | Butanoic acid, 3-chloro-2-hydroxy-, methyl ester, (2R,3S)-
CAS No: 129006-24-2 Catalog No: AG000YS5 MDL No:
Product Description
Catalog Number:
AG000YS5
Chemical Name:
Butanoic acid, 3-chloro-2-hydroxy-, methyl ester, (2R,3S)-
CAS Number:
129006-24-2
Molecular Formula:
C5H9ClO3
Molecular Weight:
152.5762
IUPAC Name:
methyl (2R,3S)-3-chloro-2-hydroxybutanoate
InChI:
InChI=1S/C5H9ClO3/c1-3(6)4(7)5(8)9-2/h3-4,7H,1-2H3/t3-,4-/m0/s1
InChI Key:
QRKFFJZURQPPGD-IMJSIDKUSA-N
SMILES:
COC(=O)[C@H]([C@@H](Cl)C)O
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
152.024g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.574g/mol
Monoisotopic Mass:
152.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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