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Home > Imidazoles > 850302-41-9
850302-41-9 | 1H-Benzimidazole-6,7-dione, 4-methyl-
CAS No: 850302-41-9 Catalog No: AG00GQQT MDL No:
Product Description
Catalog Number:
AG00GQQT
Chemical Name:
1H-Benzimidazole-6,7-dione, 4-methyl-
CAS Number:
850302-41-9
IUPAC Name:
7-methyl-3H-benzimidazole-4,5-dione
InChI:
InChI=1S/C8H6N2O2/c1-4-2-5(11)8(12)7-6(4)9-3-10-7/h2-3H,1H3,(H,9,10)
InChI Key:
MKSBXTOISNOJDG-UHFFFAOYSA-N
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.148g/mol
Monoisotopic Mass:
162.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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