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119465-21-3 | 1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis[3-methyl- (9CI)
CAS No: 119465-21-3 Catalog No: AG000IU5 MDL No:
Product Description
Catalog Number:
AG000IU5
Chemical Name:
1H-Pyrrole-2,5-dione, 1,1'-(4-methyl-1,3-phenylene)bis[3-methyl- (9CI)
CAS Number:
119465-21-3
Molecular Formula:
C17H14N2O4
Molecular Weight:
310.3041
IUPAC Name:
3-methyl-1-[4-methyl-3-(3-methyl-2,5-dioxopyrrol-1-yl)phenyl]pyrrole-2,5-dione
InChI:
InChI=1S/C17H14N2O4/c1-9-4-5-12(18-14(20)6-10(2)16(18)22)8-13(9)19-15(21)7-11(3)17(19)23/h4-8H,1-3H3
InChI Key:
VRJJRMZNMQVVDN-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)N1c1ccc(c(c1)N1C(=O)C=C(C1=O)C)C)C
Properties
Complexity:
676
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.309g/mol
Monoisotopic Mass:
310.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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