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127719-39-5 | Acetic acid, 2-[(methoxycarbonyl)thio]-, methyl ester
CAS No: 127719-39-5 Catalog No: AG000XCC MDL No:
Product Description
Catalog Number:
AG000XCC
Chemical Name:
Acetic acid, 2-[(methoxycarbonyl)thio]-, methyl ester
CAS Number:
127719-39-5
Molecular Formula:
C5H8O4S
Molecular Weight:
164.1796
IUPAC Name:
methyl 2-methoxycarbonylsulfanylacetate
InChI:
InChI=1S/C5H8O4S/c1-8-4(6)3-10-5(7)9-2/h3H2,1-2H3
InChI Key:
GVUWZNOGHGZOAZ-UHFFFAOYSA-N
SMILES:
COC(=O)SCC(=O)OC
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.014g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.175g/mol
Monoisotopic Mass:
164.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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