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89159-32-0

89159-32-0 | 1H-Pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione, 6-methyl-7-nitro-

CAS No: 89159-32-0 Catalog No: AG003X9L MDL No:

Product Description

Catalog Number:
AG003X9L
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione, 6-methyl-7-nitro-
CAS Number:
89159-32-0
Molecular Formula:
C8H7N3O4
Molecular Weight:
209.1589
IUPAC Name:
6-methyl-7-nitro-2,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3,4-dione
InChI:
InChI=1S/C8H7N3O4/c1-3-6(11(14)15)4-2-9-7(12)5(4)8(13)10-3/h2H2,1H3,(H,9,12)(H,10,13)
InChI Key:
CLRITWLHQNIIRF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)[nH]c(=O)c2c1CNC2=O

Properties

Complexity:
455  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.044g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
209.161g/mol
Monoisotopic Mass:
209.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

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