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88683-56-1 | 1H-Isoindole-1,3(2H)-dione, 2-[[2,3-bis(acetyloxy)propyl]thio]-
CAS No: 88683-56-1 Catalog No: AG0047FV MDL No:
Product Description
Catalog Number:
AG0047FV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[2,3-bis(acetyloxy)propyl]thio]-
CAS Number:
88683-56-1
Molecular Formula:
C15H15NO6S
Molecular Weight:
337.3477
IUPAC Name:
[2-acetyloxy-3-(1,3-dioxoisoindol-2-yl)sulfanylpropyl] acetate
InChI:
InChI=1S/C15H15NO6S/c1-9(17)21-7-11(22-10(2)18)8-23-16-14(19)12-5-3-4-6-13(12)15(16)20/h3-6,11H,7-8H2,1-2H3
InChI Key:
JXKWFJJECXWTON-UHFFFAOYSA-N
SMILES:
CC(=O)OC(CSN1C(=O)c2c(C1=O)cccc2)COC(=O)C
Properties
Complexity:
484
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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