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117235-10-6 | Propanoic acid, 3-mercapto-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 117235-10-6 Catalog No: AG000DZ3 MDL No:
Product Description
Catalog Number:
AG000DZ3
Chemical Name:
Propanoic acid, 3-mercapto-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
117235-10-6
Molecular Formula:
C7H9NO4S
Molecular Weight:
203.2157
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-sulfanylpropanoate
InChI:
InChI=1S/C7H9NO4S/c9-5-1-2-6(10)8(5)12-7(11)3-4-13/h13H,1-4H2
InChI Key:
UTBOEPMMEANMPS-UHFFFAOYSA-N
SMILES:
SCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.212g/mol
Monoisotopic Mass:
203.025g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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