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21220-83-7 | 2-(2-hydroxypropyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
CAS No: 21220-83-7 Catalog No: AG006YKI MDL No:
Product Description
Catalog Number:
AG006YKI
Chemical Name:
2-(2-hydroxypropyl)hexahydro-1h-4,7-epoxyisoindole-1,3(2h)-dione
CAS Number:
21220-83-7
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
1-methoxy-4-[4-[4-(4-methoxyphenoxy)butyl-(2-sulfosulfanylethyl)amino]butoxy]benzene
InChI:
InChI=1S/C24H35NO7S2/c1-29-21-7-11-23(12-8-21)31-18-5-3-15-25(17-20-33-34(26,27)28)16-4-6-19-32-24-13-9-22(30-2)10-14-24/h7-14H,3-6,15-20H2,1-2H3,(H,26,27,28)
InChI Key:
UNQUFOFUZSLDCK-UHFFFAOYSA-N
SMILES:
CC(CN1C(=O)C2C(C1=O)C1OC2CC1)O
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
513.185g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
513.664g/mol
Monoisotopic Mass:
513.185g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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