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147299-72-7 | 1H-Pyrrole-2,5-dione, 1,1'-[1,5-pentanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS No: 147299-72-7 Catalog No: AG001ES2 MDL No:
Product Description
Catalog Number:
AG001ES2
Chemical Name:
1H-Pyrrole-2,5-dione, 1,1'-[1,5-pentanediylbis(oxy-4,1-phenylene)]bis- (9CI)
CAS Number:
147299-72-7
Molecular Formula:
C25H22N2O6
Molecular Weight:
446.4520
IUPAC Name:
1-[4-[4-[4-(2,5-dioxopyrrol-1-yl)phenoxy]pentoxy]phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C25H22N2O6/c1-17(33-21-10-6-19(7-11-21)27-24(30)14-15-25(27)31)3-2-16-32-20-8-4-18(5-9-20)26-22(28)12-13-23(26)29/h4-15,17H,2-3,16H2,1H3
InChI Key:
WQNGZKFLWBISET-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1c1ccc(cc1)OCCCCCOc1ccc(cc1)N1C(=O)C=CC1=O
Properties
Complexity:
785
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.148g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.459g/mol
Monoisotopic Mass:
446.148g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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