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6948-18-1 | 4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5(4h)-one
CAS No: 6948-18-1 Catalog No: AG005YBM MDL No:
Product Description
Catalog Number:
AG005YBM
Chemical Name:
4-(1,3-benzodioxol-5-ylmethylidene)-3-phenyl-1,2-oxazol-5(4h)-one
CAS Number:
6948-18-1
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
IUPAC Name:
N,N'-bis[(4-acetamidophenyl)methylideneamino]oxamide
InChI:
InChI=1S/C20H20N6O4/c1-13(27)23-17-7-3-15(4-8-17)11-21-25-19(29)20(30)26-22-12-16-5-9-18(10-6-16)24-14(2)28/h3-12H,1-2H3,(H,23,27)(H,24,28)(H,25,29)(H,26,30)
InChI Key:
AGMGIKYRJXGBLV-UHFFFAOYSA-N
SMILES:
O=C1ON=C(C1=Cc1ccc2c(c1)OCO2)c1ccccc1
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.155g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
408.418g/mol
Monoisotopic Mass:
408.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
0.9
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