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87978-52-7 | 1-Propanone, 2,2-dimethyl-1-(1-methyl-1H-benzimidazol-2-yl)-
CAS No: 87978-52-7 Catalog No: AG004OUM MDL No:
Product Description
Catalog Number:
AG004OUM
Chemical Name:
1-Propanone, 2,2-dimethyl-1-(1-methyl-1H-benzimidazol-2-yl)-
CAS Number:
87978-52-7
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
2,2-dimethyl-1-(1-methylbenzimidazol-2-yl)propan-1-one
InChI:
InChI=1S/C13H16N2O/c1-13(2,3)11(16)12-14-9-7-5-6-8-10(9)15(12)4/h5-8H,1-4H3
InChI Key:
XCUMWAFNTAVRSI-UHFFFAOYSA-N
SMILES:
Cn1c2ccccc2nc1C(=O)C(C)(C)C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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