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89372-57-6 | 1-Butanone,1-(1H-imidazol-1-yl)-3,3-dimethyl-2-[(2-methylphenyl)methyl]-
CAS No: 89372-57-6 Catalog No: AG003XBS MDL No:
Product Description
Catalog Number:
AG003XBS
Chemical Name:
1-Butanone,1-(1H-imidazol-1-yl)-3,3-dimethyl-2-[(2-methylphenyl)methyl]-
CAS Number:
89372-57-6
Molecular Formula:
C17H22N2O
Molecular Weight:
270.3694
IUPAC Name:
1-imidazol-1-yl-3,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-one
InChI:
InChI=1S/C17H22N2O/c1-13-7-5-6-8-14(13)11-15(17(2,3)4)16(20)19-10-9-18-12-19/h5-10,12,15H,11H2,1-4H3
InChI Key:
DSODPMDHIZKMAP-UHFFFAOYSA-N
SMILES:
Cc1ccccc1CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.173g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.376g/mol
Monoisotopic Mass:
270.173g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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