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115906-23-5 | 2,5-Pyrrolidinedione, 1,1'-methylenebis[3-[4-(1-methylethoxy)phenyl]-
CAS No: 115906-23-5 Catalog No: AG000H3X MDL No:
Product Description
Catalog Number:
AG000H3X
Chemical Name:
2,5-Pyrrolidinedione, 1,1'-methylenebis[3-[4-(1-methylethoxy)phenyl]-
CAS Number:
115906-23-5
Molecular Formula:
C27H30N2O6
Molecular Weight:
478.5369
IUPAC Name:
1-[[2,5-dioxo-3-(4-propan-2-yloxyphenyl)pyrrolidin-1-yl]methyl]-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C27H30N2O6/c1-16(2)34-20-9-5-18(6-10-20)22-13-24(30)28(26(22)32)15-29-25(31)14-23(27(29)33)19-7-11-21(12-8-19)35-17(3)4/h5-12,16-17,22-23H,13-15H2,1-4H3
InChI Key:
JVMQJWJMRMLTDE-UHFFFAOYSA-N
SMILES:
CC(Oc1ccc(cc1)C1CC(=O)N(C1=O)CN1C(=O)CC(C1=O)c1ccc(cc1)OC(C)C)C
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.21g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.545g/mol
Monoisotopic Mass:
478.21g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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