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89479-71-0 | 4-Isoxazolecarboxaldehyde, 3,5-diphenyl-
CAS No: 89479-71-0 Catalog No: AG00422W MDL No:
Product Description
Catalog Number:
AG00422W
Chemical Name:
4-Isoxazolecarboxaldehyde, 3,5-diphenyl-
CAS Number:
89479-71-0
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
3,5-diphenyl-1,2-oxazole-4-carbaldehyde
InChI:
InChI=1S/C16H11NO2/c18-11-14-15(12-7-3-1-4-8-12)17-19-16(14)13-9-5-2-6-10-13/h1-11H
InChI Key:
OZMLNKAXYSWXSV-UHFFFAOYSA-N
SMILES:
O=Cc1c(onc1c1ccccc1)c1ccccc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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