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86451-38-9 | Butanedioicacid, 1-(2,5-dioxo-1-pyrrolidinyl) 4-[4-(methylthio)phenyl] ester
CAS No: 86451-38-9 Catalog No: AG004N09 MDL No:
Product Description
Catalog Number:
AG004N09
Chemical Name:
Butanedioicacid, 1-(2,5-dioxo-1-pyrrolidinyl) 4-[4-(methylthio)phenyl] ester
CAS Number:
86451-38-9
Molecular Formula:
C15H15NO6S
Molecular Weight:
337.3477
IUPAC Name:
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(4-methylsulfanylphenyl) butanedioate
InChI:
InChI=1S/C15H15NO6S/c1-23-11-4-2-10(3-5-11)21-14(19)8-9-15(20)22-16-12(17)6-7-13(16)18/h2-5H,6-9H2,1H3
InChI Key:
UHZDRHRCJXXUOK-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)OC(=O)CCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.062g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.346g/mol
Monoisotopic Mass:
337.062g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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