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26413-70-7 | 1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dione, 4-methoxy-6-methyl-
CAS No: 26413-70-7 Catalog No: AG002T4A MDL No:
Product Description
Catalog Number:
AG002T4A
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-1,3(2H)-dione, 4-methoxy-6-methyl-
CAS Number:
26413-70-7
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
IUPAC Name:
4-methoxy-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
InChI:
InChI=1S/C9H8N2O3/c1-4-3-5-6(9(10-4)14-2)8(13)11-7(5)12/h3H,1-2H3,(H,11,12,13)
InChI Key:
MCWPVCQPLHZAAD-UHFFFAOYSA-N
SMILES:
COc1nc(C)cc2c1C(=O)NC2=O
NSC Number:
138450
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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