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Home > Nitro Compounds > 89068-53-1
89068-53-1 | 1H-Pyrrole-2,5-dione, 3,4-dimethyl-1-(4-nitrophenyl)-
CAS No: 89068-53-1 Catalog No: AG0041AB MDL No:
Product Description
Catalog Number:
AG0041AB
Chemical Name:
1H-Pyrrole-2,5-dione, 3,4-dimethyl-1-(4-nitrophenyl)-
CAS Number:
89068-53-1
Molecular Formula:
C12H10N2O4
Molecular Weight:
246.2188
IUPAC Name:
3,4-dimethyl-1-(4-nitrophenyl)pyrrole-2,5-dione
InChI:
InChI=1S/C12H10N2O4/c1-7-8(2)12(16)13(11(7)15)9-3-5-10(6-4-9)14(17)18/h3-6H,1-2H3
InChI Key:
JIHMNDMLSGGOGS-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C(=O)N1c1ccc(cc1)[N+](=O)[O-])C)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.222g/mol
Monoisotopic Mass:
246.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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