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Home > Indoles and Oxindole > 88683-54-9
88683-54-9 | 1H-Isoindole-1,3(2H)-dione, 2-[[2-(acetyloxy)ethyl]thio]-
CAS No: 88683-54-9 Catalog No: AG0047UW MDL No:
Product Description
Catalog Number:
AG0047UW
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[2-(acetyloxy)ethyl]thio]-
CAS Number:
88683-54-9
Molecular Formula:
C12H11NO4S
Molecular Weight:
265.2850
IUPAC Name:
2-(1,3-dioxoisoindol-2-yl)sulfanylethyl acetate
InChI:
InChI=1S/C12H11NO4S/c1-8(14)17-6-7-18-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5H,6-7H2,1H3
InChI Key:
MQLTUKNEZYOVAM-UHFFFAOYSA-N
SMILES:
CC(=O)OCCSN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.283g/mol
Monoisotopic Mass:
265.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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