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7149-97-5 | 4-(2,6-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS No: 7149-97-5 Catalog No: AG0066K7 MDL No:
Product Description
Catalog Number:
AG0066K7
Chemical Name:
4-(2,6-dimethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS Number:
7149-97-5
Molecular Formula:
C18H15NO4
Molecular Weight:
309.3160
IUPAC Name:
4-[(2,6-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C18H15NO4/c1-21-15-9-6-10-16(22-2)13(15)11-14-18(20)23-17(19-14)12-7-4-3-5-8-12/h3-11H,1-2H3
InChI Key:
IXNWRNTXFCHKJM-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C=C1N=C(OC1=O)c1ccccc1)OC
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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