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89114-13-6 | 5(2H)-Isoxazolone, 3-phenyl-4-[(2,4,6-trimethylphenyl)methyl]-
CAS No: 89114-13-6 Catalog No: AG0086TQ MDL No:
Product Description
Catalog Number:
AG0086TQ
Chemical Name:
5(2H)-Isoxazolone, 3-phenyl-4-[(2,4,6-trimethylphenyl)methyl]-
CAS Number:
89114-13-6
Molecular Formula:
C19H19NO2
Molecular Weight:
293.3597
IUPAC Name:
3-phenyl-4-[(2,4,6-trimethylphenyl)methyl]-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C19H19NO2/c1-12-9-13(2)16(14(3)10-12)11-17-18(20-22-19(17)21)15-7-5-4-6-8-15/h4-10,20H,11H2,1-3H3
InChI Key:
DQATXXPZDSFBOU-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)Cc1c(=O)o[nH]c1c1ccccc1
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.142g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.366g/mol
Monoisotopic Mass:
293.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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