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66404-27-1 | 5(4H)-Oxazolone, 4-(2-naphthalenylmethylene)-2-phenyl-
CAS No: 66404-27-1 Catalog No: AG006M90 MDL No:
Product Description
Catalog Number:
AG006M90
Chemical Name:
5(4H)-Oxazolone, 4-(2-naphthalenylmethylene)-2-phenyl-
CAS Number:
66404-27-1
Molecular Formula:
C20H13NO2
Molecular Weight:
299.3227
IUPAC Name:
4-(naphthalen-2-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C20H13NO2/c22-20-18(21-19(23-20)16-7-2-1-3-8-16)13-14-10-11-15-6-4-5-9-17(15)12-14/h1-13H
InChI Key:
VJEQAFKSQWRSLC-UHFFFAOYSA-N
SMILES:
O=C1OC(=NC1=Cc1ccc2c(c1)cccc2)c1ccccc1
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.095g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.329g/mol
Monoisotopic Mass:
299.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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