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Home > Indoles and Oxindole > 30391-55-0
30391-55-0 | 1H-Isoindole-1,3(2H)-dione, 2,2'-[1,4-phenylenebis(methylene)]bis- (9CI)
CAS No: 30391-55-0 Catalog No: AG002ZZL MDL No:
Product Description
Catalog Number:
AG002ZZL
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2,2'-[1,4-phenylenebis(methylene)]bis- (9CI)
CAS Number:
30391-55-0
Molecular Formula:
C24H16N2O4
Molecular Weight:
396.3948
IUPAC Name:
2-[[4-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]methyl]isoindole-1,3-dione
InChI:
InChI=1S/C24H16N2O4/c27-21-17-5-1-2-6-18(17)22(28)25(21)13-15-9-11-16(12-10-15)14-26-23(29)19-7-3-4-8-20(19)24(26)30/h1-12H,13-14H2
InChI Key:
LXIIWCDTGITVSG-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2ccc(cc2)CN2C(=O)c3c(C2=O)cccc3)C(=O)c2c1cccc2
NSC Number:
137869
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.111g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.402g/mol
Monoisotopic Mass:
396.111g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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