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77655-22-2 | 5(4H)-Oxazolone, 4-[(2-methoxy-1-naphthalenyl)methylene]-2-phenyl-
CAS No: 77655-22-2 Catalog No: AG008OSG MDL No:
Product Description
Catalog Number:
AG008OSG
Chemical Name:
5(4H)-Oxazolone, 4-[(2-methoxy-1-naphthalenyl)methylene]-2-phenyl-
CAS Number:
77655-22-2
Molecular Formula:
C21H15NO3
Molecular Weight:
329.3487
IUPAC Name:
4-[(2-methoxynaphthalen-1-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C21H15NO3/c1-24-19-12-11-14-7-5-6-10-16(14)17(19)13-18-21(23)25-20(22-18)15-8-3-2-4-9-15/h2-13H,1H3
InChI Key:
VIJONODJHDRQQT-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1C=C1N=C(OC1=O)c1ccccc1)cccc2
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.355g/mol
Monoisotopic Mass:
329.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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