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89114-10-3 | 5(2H)-Isoxazolone, 4-[(4-methylphenyl)methyl]-3-phenyl-
CAS No: 89114-10-3 Catalog No: AG0086TR MDL No:
Product Description
Catalog Number:
AG0086TR
Chemical Name:
5(2H)-Isoxazolone, 4-[(4-methylphenyl)methyl]-3-phenyl-
CAS Number:
89114-10-3
Molecular Formula:
C17H15NO2
Molecular Weight:
265.3065
IUPAC Name:
4-[(4-methylphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C17H15NO2/c1-12-7-9-13(10-8-12)11-15-16(18-20-17(15)19)14-5-3-2-4-6-14/h2-10,18H,11H2,1H3
InChI Key:
DBMQQJPKRDSJAM-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Cc1c(=O)o[nH]c1c1ccccc1
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.11g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.312g/mol
Monoisotopic Mass:
265.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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