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26413-69-4 | 1H-Pyrrolo[3,4-c]pyridine-1,3,4(2H,5H)-trione, 6-methyl-
CAS No: 26413-69-4 Catalog No: AG002T4B MDL No:MFCD02110617
Product Description
Catalog Number:
AG002T4B
Chemical Name:
1H-Pyrrolo[3,4-c]pyridine-1,3,4(2H,5H)-trione, 6-methyl-
CAS Number:
26413-69-4
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
MDL Number:
MFCD02110617
IUPAC Name:
6-methyl-5H-pyrrolo[3,4-c]pyridine-1,3,4-trione
InChI:
InChI=1S/C8H6N2O3/c1-3-2-4-5(7(12)9-3)8(13)10-6(4)11/h2H,1H3,(H,9,12)(H,10,11,13)
InChI Key:
ORJIXWFJTHGCBY-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)c2c(c1)c(=O)[nH]c2=O
UNII:
JF7Q9Y6R0Z
NSC Number:
129783
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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