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119863-25-1 | 4H-1-Benzopyran-4-one, 3-(4,5-diphenyl-3-isoxazolyl)-
CAS No: 119863-25-1 Catalog No: AG000PSY MDL No:
Product Description
Catalog Number:
AG000PSY
Chemical Name:
4H-1-Benzopyran-4-one, 3-(4,5-diphenyl-3-isoxazolyl)-
CAS Number:
119863-25-1
Molecular Formula:
C24H15NO3
Molecular Weight:
365.3808
IUPAC Name:
3-(4,5-diphenyl-1,2-oxazol-3-yl)chromen-4-one
InChI:
InChI=1S/C24H15NO3/c26-23-18-13-7-8-14-20(18)27-15-19(23)22-21(16-9-3-1-4-10-16)24(28-25-22)17-11-5-2-6-12-17/h1-15H
InChI Key:
PSJQQATXUNQMMD-UHFFFAOYSA-N
SMILES:
O=c1c(coc2c1cccc2)c1noc(c1c1ccccc1)c1ccccc1
Properties
Complexity:
591
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.105g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.388g/mol
Monoisotopic Mass:
365.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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