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Home > Indoles and Oxindole > 107552-89-6
107552-89-6 | 1H-Isoindole-1,3(2H)-dione, 2-[(1-acetyl-2-oxopropyl)thio]-
CAS No: 107552-89-6 Catalog No: AG0084LN MDL No:
Product Description
Catalog Number:
AG0084LN
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(1-acetyl-2-oxopropyl)thio]-
CAS Number:
107552-89-6
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
IUPAC Name:
2-(2,4-dioxopentan-3-ylsulfanyl)isoindole-1,3-dione
InChI:
InChI=1S/C13H11NO4S/c1-7(15)11(8(2)16)19-14-12(17)9-5-3-4-6-10(9)13(14)18/h3-6,11H,1-2H3
InChI Key:
YTUQAKQNUXTCOX-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)C)SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.294g/mol
Monoisotopic Mass:
277.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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