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Home > Nitro Compounds > 168901-31-3
168901-31-3 | 5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(1,1-dimethylethyl)-3-nitro-
CAS No: 168901-31-3 Catalog No: AG001YDN MDL No:
Product Description
Catalog Number:
AG001YDN
Chemical Name:
5H-Pyrrolo[3,4-b]pyridine-5,7(6H)-dione, 6-(1,1-dimethylethyl)-3-nitro-
CAS Number:
168901-31-3
Molecular Formula:
C11H11N3O4
Molecular Weight:
249.2227
IUPAC Name:
6-tert-butyl-3-nitropyrrolo[3,4-b]pyridine-5,7-dione
InChI:
InChI=1S/C11H11N3O4/c1-11(2,3)13-9(15)7-4-6(14(17)18)5-12-8(7)10(13)16/h4-5H,1-3H3
InChI Key:
DXFRWXPPPJNSCM-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2c(C1=O)ncc(c2)[N+](=O)[O-])(C)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.226g/mol
Monoisotopic Mass:
249.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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