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89159-34-2 | 1H-Pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione, 6-methyl-
CAS No: 89159-34-2 Catalog No: AG003WY9 MDL No:
Product Description
Catalog Number:
AG003WY9
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-3,4(2H,5H)-dione, 6-methyl-
CAS Number:
89159-34-2
Molecular Formula:
C8H8N2O2
Molecular Weight:
164.1613
IUPAC Name:
6-methyl-2,5-dihydro-1H-pyrrolo[3,4-c]pyridine-3,4-dione
InChI:
InChI=1S/C8H8N2O2/c1-4-2-5-3-9-7(11)6(5)8(12)10-4/h2H,3H2,1H3,(H,9,11)(H,10,12)
InChI Key:
QKHQTKXYVUEONP-UHFFFAOYSA-N
SMILES:
Cc1cc2CNC(=O)c2c(=O)[nH]1
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.164g/mol
Monoisotopic Mass:
164.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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