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84214-67-5 | Butanedioic acid, mercapto-, monomethyl ester
CAS No: 84214-67-5 Catalog No: AG004RK2 MDL No:
Product Description
Catalog Number:
AG004RK2
Chemical Name:
Butanedioic acid, mercapto-, monomethyl ester
CAS Number:
84214-67-5
Molecular Formula:
C5H7O4S-
Molecular Weight:
163.1717
IUPAC Name:
4-methoxy-4-oxo-3-sulfanylbutanoate
InChI:
InChI=1S/C5H8O4S/c1-9-5(8)3(10)2-4(6)7/h3,10H,2H2,1H3,(H,6,7)/p-1
InChI Key:
JGRSVXLSEJAAFH-UHFFFAOYSA-M
SMILES:
[O-]C(=O)CC(C(=O)OC)S
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.007g/mol
Formal Charge:
-1
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.167g/mol
Monoisotopic Mass:
163.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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