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88683-55-0 | 1H-Isoindole-1,3(2H)-dione, 2-[[2-(acetyloxy)propyl]thio]-
CAS No: 88683-55-0 Catalog No: AG0047UV MDL No:
Product Description
Catalog Number:
AG0047UV
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[2-(acetyloxy)propyl]thio]-
CAS Number:
88683-55-0
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
IUPAC Name:
1-(1,3-dioxoisoindol-2-yl)sulfanylpropan-2-yl acetate
InChI:
InChI=1S/C13H13NO4S/c1-8(18-9(2)15)7-19-14-12(16)10-5-3-4-6-11(10)13(14)17/h3-6,8H,7H2,1-2H3
InChI Key:
LLJBFYXNSXSYPV-UHFFFAOYSA-N
SMILES:
CC(OC(=O)C)CSN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.31g/mol
Monoisotopic Mass:
279.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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