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97042-58-5 | 1,2-DIMETHYL-1H-BENZO[D]IMIDAZOLE-4,7-DIONE
CAS No: 97042-58-5 Catalog No: AG006NYU MDL No:
Product Description
Catalog Number:
AG006NYU
Chemical Name:
1,2-DIMETHYL-1H-BENZO[D]IMIDAZOLE-4,7-DIONE
CAS Number:
97042-58-5
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
IUPAC Name:
1,2-dimethylbenzimidazole-4,7-dione
InChI:
InChI=1S/C9H8N2O2/c1-5-10-8-6(12)3-4-7(13)9(8)11(5)2/h3-4H,1-2H3
InChI Key:
HSSRRQJOJDXTID-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)c2c1n(C)c(n2)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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