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147299-73-8 | 1H-Pyrrole-2,5-dione, 1,1'-[1,6-hexanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS No: 147299-73-8 Catalog No: AG001ES1 MDL No:
Product Description
Catalog Number:
AG001ES1
Chemical Name:
1H-Pyrrole-2,5-dione, 1,1'-[1,6-hexanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS Number:
147299-73-8
Molecular Formula:
C26H24N2O6
Molecular Weight:
460.4786
IUPAC Name:
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]hexoxy]phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C26H24N2O6/c1-2-20(34-22-11-7-19(8-12-22)28-25(31)15-16-26(28)32)4-3-17-33-21-9-5-18(6-10-21)27-23(29)13-14-24(27)30/h5-16,20H,2-4,17H2,1H3
InChI Key:
BLNMJGMHJHJEAE-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)OCCCCCCOc1ccc(cc1)N1C(=O)C=CC1=O
Properties
Complexity:
800
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.163g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.486g/mol
Monoisotopic Mass:
460.163g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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