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Home > Imidazoles > 77671-38-6
77671-38-6 | 2H-Imidazol-2-one, 1,3-dihydro-4-(4-methoxybenzoyl)-1,3,5-trimethyl-
CAS No: 77671-38-6 Catalog No: AG005SIB MDL No:
Product Description
Catalog Number:
AG005SIB
Chemical Name:
2H-Imidazol-2-one, 1,3-dihydro-4-(4-methoxybenzoyl)-1,3,5-trimethyl-
CAS Number:
77671-38-6
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
4-(4-methoxybenzoyl)-1,3,5-trimethylimidazol-2-one
InChI:
InChI=1S/C14H16N2O3/c1-9-12(16(3)14(18)15(9)2)13(17)10-5-7-11(19-4)8-6-10/h5-8H,1-4H3
InChI Key:
LWESTPBEQWMAHW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)c1c(C)n(c(=O)n1C)C
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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