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81068-59-9 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(acetyloxy)-2-(methylthio)ethyl]-
CAS No: 81068-59-9 Catalog No: AG00502S MDL No:
Product Description
Catalog Number:
AG00502S
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(acetyloxy)-2-(methylthio)ethyl]-
CAS Number:
81068-59-9
Molecular Formula:
C13H13NO4S
Molecular Weight:
279.3116
IUPAC Name:
[2-(1,3-dioxoisoindol-2-yl)-1-methylsulfanylethyl] acetate
InChI:
InChI=1S/C13H13NO4S/c1-8(15)18-11(19-2)7-14-12(16)9-5-3-4-6-10(9)13(14)17/h3-6,11H,7H2,1-2H3
InChI Key:
QNRNLZISCATAKS-UHFFFAOYSA-N
SMILES:
CSC(OC(=O)C)CN1C(=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:
2.2
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