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1097-21-8 | 5(4H)-Oxazolone,4-[(3,5-dimethoxyphenyl)methylene]-2-phenyl-
CAS No: 1097-21-8 Catalog No: AG00824H MDL No:
Product Description
Catalog Number:
AG00824H
Chemical Name:
5(4H)-Oxazolone,4-[(3,5-dimethoxyphenyl)methylene]-2-phenyl-
CAS Number:
1097-21-8
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
4-[(3,5-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C18H15NO4/c1-21-14-8-12(9-15(11-14)22-2)10-16-18(20)23-17(19-16)13-6-4-3-5-7-13/h3-11H,1-2H3
InChI Key:
ZBJVMNKSVRSROR-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)OC)C=C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.321g/mol
Monoisotopic Mass:
309.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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