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142050-45-1 | 5(4H)-Oxazolone, 4-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-
CAS No: 142050-45-1 Catalog No: AG001HNA MDL No:
Product Description
Catalog Number:
AG001HNA
Chemical Name:
5(4H)-Oxazolone, 4-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-
CAS Number:
142050-45-1
Molecular Formula:
C18H17NO4
Molecular Weight:
311.3319
IUPAC Name:
4-[(2,4-dimethoxyphenyl)methyl]-2-phenyl-4H-1,3-oxazol-5-one
InChI:
InChI=1S/C18H17NO4/c1-21-14-9-8-13(16(11-14)22-2)10-15-18(20)23-17(19-15)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3
InChI Key:
RIPPMPOWMSNFBU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CC1N=C(OC1=O)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.337g/mol
Monoisotopic Mass:
311.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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