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87367-86-0 | 3-[4-[[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]methoxy]phenyl]pyrrolidine-2,5-dione
CAS No: 87367-86-0 Catalog No: AG004KOR MDL No:
Product Description
Catalog Number:
AG004KOR
Chemical Name:
3-[4-[[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]methoxy]phenyl]pyrrolidine-2,5-dione
CAS Number:
87367-86-0
Molecular Formula:
C21H18N2O6
Molecular Weight:
394.3774
IUPAC Name:
3-[4-[[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]methoxy]phenyl]pyrrolidine-2,5-dione
InChI:
InChI=1S/C21H18N2O6/c24-18-9-16(20(26)22-18)12-1-5-14(6-2-12)28-11-29-15-7-3-13(4-8-15)17-10-19(25)23-21(17)27/h1-8,16-17H,9-11H2,(H,22,24,26)(H,23,25,27)
InChI Key:
ASFQATAUKWCPMA-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)CC1c1ccc(cc1)OCOc1ccc(cc1)C1CC(=O)NC1=O
Properties
Complexity:
608
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.116g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.383g/mol
Monoisotopic Mass:
394.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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