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96440-20-9 | 4H-1-Benzopyran-4-one, 2-[[2-(5-phenyl-3-isoxazolyl)phenoxy]methyl]-
CAS No: 96440-20-9 Catalog No: AG006QRR MDL No:
Product Description
Catalog Number:
AG006QRR
Chemical Name:
4H-1-Benzopyran-4-one, 2-[[2-(5-phenyl-3-isoxazolyl)phenoxy]methyl]-
CAS Number:
96440-20-9
Molecular Formula:
C25H17NO4
Molecular Weight:
395.4068
IUPAC Name:
2-[[2-(5-phenyl-1,2-oxazol-3-yl)phenoxy]methyl]chromen-4-one
InChI:
InChI=1S/C25H17NO4/c27-22-14-18(29-24-13-7-5-11-20(22)24)16-28-23-12-6-4-10-19(23)21-15-25(30-26-21)17-8-2-1-3-9-17/h1-15H,16H2
InChI Key:
PDLFFMILRDWGRB-UHFFFAOYSA-N
SMILES:
O=c1cc(COc2ccccc2c2noc(c2)c2ccccc2)oc2c1cccc2
Properties
Complexity:
629
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.116g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.414g/mol
Monoisotopic Mass:
395.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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