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82301-50-6 | 5(4H)-Oxazolone, 4-[(3-methoxyphenyl)methylene]-2-phenyl-, (Z)-
CAS No: 82301-50-6 Catalog No: AG004ZY6 MDL No:
Product Description
Catalog Number:
AG004ZY6
Chemical Name:
5(4H)-Oxazolone, 4-[(3-methoxyphenyl)methylene]-2-phenyl-, (Z)-
CAS Number:
82301-50-6
Molecular Formula:
C17H13NO3
Molecular Weight:
279.2900
IUPAC Name:
4-[(3-methoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C17H13NO3/c1-20-14-9-5-6-12(10-14)11-15-17(19)21-16(18-15)13-7-3-2-4-8-13/h2-11H,1H3
InChI Key:
VXDLQXNXXYIRJC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)/C=C/1\N=C(OC1=O)c1ccccc1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.295g/mol
Monoisotopic Mass:
279.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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