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89114-12-5 | 5(2H)-Isoxazolone, 4-[(2-ethoxyphenyl)methyl]-3-phenyl-
CAS No: 89114-12-5 Catalog No: AG003ZR4 MDL No:
Product Description
Catalog Number:
AG003ZR4
Chemical Name:
5(2H)-Isoxazolone, 4-[(2-ethoxyphenyl)methyl]-3-phenyl-
CAS Number:
89114-12-5
Molecular Formula:
C18H17NO3
Molecular Weight:
295.3325
IUPAC Name:
4-[(2-ethoxyphenyl)methyl]-3-phenyl-2H-1,2-oxazol-5-one
InChI:
InChI=1S/C18H17NO3/c1-2-21-16-11-7-6-10-14(16)12-15-17(19-22-18(15)20)13-8-4-3-5-9-13/h3-11,19H,2,12H2,1H3
InChI Key:
YOFBZXPLVCFEIM-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1Cc1c(=O)o[nH]c1c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
295.338g/mol
Monoisotopic Mass:
295.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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