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83306-17-6 | Propanoic acid,3-(2-pyridinylthio)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 83306-17-6 Catalog No: AG004T0U MDL No:
Product Description
Catalog Number:
AG004T0U
Chemical Name:
Propanoic acid,3-(2-pyridinylthio)-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
83306-17-6
Molecular Formula:
C12H12N2O4S
Molecular Weight:
280.2997
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-pyridin-2-ylsulfanylpropanoate
InChI:
InChI=1S/C12H12N2O4S/c15-10-4-5-11(16)14(10)18-12(17)6-8-19-9-3-1-2-7-13-9/h1-3,7H,4-6,8H2
InChI Key:
QMXCRMQIVATQMR-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCSc1ccccn1
EC Number:
280-372-0
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.052g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.298g/mol
Monoisotopic Mass:
280.052g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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