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Home > Imidazoles > 89372-49-6
89372-49-6 | 1H-Imidazole, 1-[3,3-dimethyl-1-oxo-2-[(4-propoxyphenyl)methyl]butyl]-
CAS No: 89372-49-6 Catalog No: AG003YVB MDL No:
Product Description
Catalog Number:
AG003YVB
Chemical Name:
1H-Imidazole, 1-[3,3-dimethyl-1-oxo-2-[(4-propoxyphenyl)methyl]butyl]-
CAS Number:
89372-49-6
Molecular Formula:
C19H26N2O2
Molecular Weight:
314.4219
IUPAC Name:
1-imidazol-1-yl-3,3-dimethyl-2-[(4-propoxyphenyl)methyl]butan-1-one
InChI:
InChI=1S/C19H26N2O2/c1-5-12-23-16-8-6-15(7-9-16)13-17(19(2,3)4)18(22)21-11-10-20-14-21/h6-11,14,17H,5,12-13H2,1-4H3
InChI Key:
HPXSTDOOXSWSCQ-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)CC(C(C)(C)C)C(=O)n1cncc1
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.199g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.429g/mol
Monoisotopic Mass:
314.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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