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87367-87-1 | 3-[4-[2-[4-(2,5-DIOXOPYRROLIDIN-3-YL)PHENOXY]ETHOXY]PHENYL]PYRROLIDINE -2,5-DIONE
CAS No: 87367-87-1 Catalog No: AG004KOQ MDL No:
Product Description
Catalog Number:
AG004KOQ
Chemical Name:
3-[4-[2-[4-(2,5-DIOXOPYRROLIDIN-3-YL)PHENOXY]ETHOXY]PHENYL]PYRROLIDINE -2,5-DIONE
CAS Number:
87367-87-1
Molecular Formula:
C22H20N2O6
Molecular Weight:
408.4040
IUPAC Name:
3-[4-[2-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]ethoxy]phenyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C22H20N2O6/c25-19-11-17(21(27)23-19)13-1-5-15(6-2-13)29-9-10-30-16-7-3-14(4-8-16)18-12-20(26)24-22(18)28/h1-8,17-18H,9-12H2,(H,23,25,27)(H,24,26,28)
InChI Key:
DTZNBROGJUJPGX-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CC1c1ccc(cc1)OCCOc1ccc(cc1)C1CC(=O)NC1=O
Properties
Complexity:
621
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.132g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.41g/mol
Monoisotopic Mass:
408.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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