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117406-91-4 | Butanoic acid, 2,3-dihydroxy-, methyl ester, (2R,3S)-
CAS No: 117406-91-4 Catalog No: AG000E9D MDL No:
Product Description
Catalog Number:
AG000E9D
Chemical Name:
Butanoic acid, 2,3-dihydroxy-, methyl ester, (2R,3S)-
CAS Number:
117406-91-4
Molecular Formula:
C5H10O4
Molecular Weight:
134.1305
IUPAC Name:
methyl 2,3-dihydroxybutanoate
InChI:
InChI=1S/C5H10O4/c1-3(6)4(7)5(8)9-2/h3-4,6-7H,1-2H3
InChI Key:
WSWXGWWRXBEESI-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]([C@@H](O)C)O
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.058g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.131g/mol
Monoisotopic Mass:
134.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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