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116519-47-2 | 4H-Pyran-4-one, 3-hydroxy-2,6-diphenyl-
CAS No: 116519-47-2 Catalog No: AG000COY MDL No:
Product Description
Catalog Number:
AG000COY
Chemical Name:
4H-Pyran-4-one, 3-hydroxy-2,6-diphenyl-
CAS Number:
116519-47-2
Molecular Formula:
C17H12O3
Molecular Weight:
264.2754
IUPAC Name:
3-hydroxy-2,6-diphenylpyran-4-one
InChI:
InChI=1S/C17H12O3/c18-14-11-15(12-7-3-1-4-8-12)20-17(16(14)19)13-9-5-2-6-10-13/h1-11,19H
InChI Key:
JVCAPEWUJVSLCV-UHFFFAOYSA-N
SMILES:
O=c1cc(oc(c1O)c1ccccc1)c1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.28g/mol
Monoisotopic Mass:
264.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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