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7149-86-2 | 5(4H)-Oxazolone,4-[(2,4-dimethoxy-3-methylphenyl)methylene]-2-phenyl-
CAS No: 7149-86-2 Catalog No: AG005HP1 MDL No:
Product Description
Catalog Number:
AG005HP1
Chemical Name:
5(4H)-Oxazolone,4-[(2,4-dimethoxy-3-methylphenyl)methylene]-2-phenyl-
CAS Number:
7149-86-2
Molecular Formula:
C19H17NO4
Molecular Weight:
323.3426
IUPAC Name:
4-[(2,4-dimethoxy-3-methylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C19H17NO4/c1-12-16(22-2)10-9-14(17(12)23-3)11-15-19(21)24-18(20-15)13-7-5-4-6-8-13/h4-11H,1-3H3
InChI Key:
BNGSGMUIQBOSIZ-UHFFFAOYSA-N
SMILES:
COc1c(ccc(c1C)OC)C=C1N=C(OC1=O)c1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.348g/mol
Monoisotopic Mass:
323.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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