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126873-66-3 | Butanoic acid, 2-hydroxy-4-(methylthio)-, ethyl ester, (2R)-
CAS No: 126873-66-3 Catalog No: AG000TER MDL No:
Product Description
Catalog Number:
AG000TER
Chemical Name:
Butanoic acid, 2-hydroxy-4-(methylthio)-, ethyl ester, (2R)-
CAS Number:
126873-66-3
Molecular Formula:
C7H14O3S
Molecular Weight:
178.2493
IUPAC Name:
ethyl 2-hydroxy-4-methylsulfanylbutanoate
InChI:
InChI=1S/C7H14O3S/c1-3-10-7(9)6(8)4-5-11-2/h6,8H,3-5H2,1-2H3
InChI Key:
MCEPYJYPIASGNF-UHFFFAOYSA-N
SMILES:
CSCC[C@H](C(=O)OCC)O
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.066g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.246g/mol
Monoisotopic Mass:
178.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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