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Home > Indoles and Oxindole > 88683-42-5
88683-42-5 | 1H-Isoindole-1,3(2H)-dione, 2-[[2-(acetyloxy)cyclohexyl]thio]-
CAS No: 88683-42-5 Catalog No: AG0047FX MDL No:
Product Description
Catalog Number:
AG0047FX
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[[2-(acetyloxy)cyclohexyl]thio]-
CAS Number:
88683-42-5
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
IUPAC Name:
[2-(1,3-dioxoisoindol-2-yl)sulfanylcyclohexyl] acetate
InChI:
InChI=1S/C16H17NO4S/c1-10(18)21-13-8-4-5-9-14(13)22-17-15(19)11-6-2-3-7-12(11)16(17)20/h2-3,6-7,13-14H,4-5,8-9H2,1H3
InChI Key:
VQHDXXORSSSXMA-UHFFFAOYSA-N
SMILES:
CC(=O)OC1CCCCC1SN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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