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713530-55-3 | 1H-BENZIMIDAZOLE-6-CARBOXAMIDE, 4-HYDROXY-N,N,1,2-TETRAMETHYL-
CAS No: 713530-55-3 Catalog No: AG005IZH MDL No:
Product Description
Catalog Number:
AG005IZH
Chemical Name:
1H-BENZIMIDAZOLE-6-CARBOXAMIDE, 4-HYDROXY-N,N,1,2-TETRAMETHYL-
CAS Number:
713530-55-3
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
7-hydroxy-N,N,2,3-tetramethylbenzimidazole-5-carboxamide
InChI:
InChI=1S/C12H15N3O2/c1-7-13-11-9(15(7)4)5-8(6-10(11)16)12(17)14(2)3/h5-6,16H,1-4H3
InChI Key:
JOMIHWMQMYEPAK-UHFFFAOYSA-N
SMILES:
CN(C(=O)c1cc(O)c2c(c1)n(C)c(n2)C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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