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Home > Pyridines > 870692-82-3
870692-82-3 | 2-acetyl-3-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-4,6-dione
CAS No: 870692-82-3 Catalog No: AG019OO4 MDL No:MFCD07346304
Product Description
Catalog Number:
AG019OO4
Chemical Name:
2-acetyl-3-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-4,6-dione
CAS Number:
870692-82-3
Molecular Formula:
C10H10N2O3
Molecular Weight:
206.1980
MDL Number:
MFCD07346304
IUPAC Name:
2-acetyl-3-methyl-1,7-dihydropyrrolo[3,2-c]pyridine-4,6-dione
InChI:
InChI=1S/C10H10N2O3/c1-4-8-6(11-9(4)5(2)13)3-7(14)12-10(8)15/h11H,3H2,1-2H3,(H,12,14,15)
InChI Key:
XZEKLDSAYFPKLQ-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c(C1)[nH]c(c2C)C(=O)C
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.201g/mol
Monoisotopic Mass:
206.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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