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88828-04-0 | 4-(3,4-diethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS No: 88828-04-0 Catalog No: AG004AJ9 MDL No:
Product Description
Catalog Number:
AG004AJ9
Chemical Name:
4-(3,4-diethoxybenzylidene)-2-phenyl-1,3-oxazol-5(4h)-one
CAS Number:
88828-04-0
Molecular Formula:
C20H19NO4
Molecular Weight:
337.3692
IUPAC Name:
4-[(3,4-diethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
InChI:
InChI=1S/C20H19NO4/c1-3-23-17-11-10-14(13-18(17)24-4-2)12-16-20(22)25-19(21-16)15-8-6-5-7-9-15/h5-13H,3-4H2,1-2H3
InChI Key:
DSZQUXJHBCQXLY-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)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:
337.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.375g/mol
Monoisotopic Mass:
337.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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