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208117-20-8 | Butanoic acid, 2-hydroxy-2-methyl-, methyl ester, (2S)-
CAS No: 208117-20-8 Catalog No: AG002JI8 MDL No:
Product Description
Catalog Number:
AG002JI8
Chemical Name:
Butanoic acid, 2-hydroxy-2-methyl-, methyl ester, (2S)-
CAS Number:
208117-20-8
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
IUPAC Name:
methyl (2S)-2-hydroxy-2-methylbutanoate
InChI:
InChI=1S/C6H12O3/c1-4-6(2,8)5(7)9-3/h8H,4H2,1-3H3/t6-/m0/s1
InChI Key:
FMXYCZVOMYLMKM-LURJTMIESA-N
SMILES:
COC(=O)[C@](CC)(O)C
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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