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18357-38-5 | 4H-Pyran-4-one, 3,5-diphenyl-
CAS No: 18357-38-5 Catalog No: AG0027P6 MDL No:
Product Description
Catalog Number:
AG0027P6
Chemical Name:
4H-Pyran-4-one, 3,5-diphenyl-
CAS Number:
18357-38-5
Molecular Formula:
C17H12O2
Molecular Weight:
248.2760
IUPAC Name:
3,5-diphenylpyran-4-one
InChI:
InChI=1S/C17H12O2/c18-17-15(13-7-3-1-4-8-13)11-19-12-16(17)14-9-5-2-6-10-14/h1-12H
InChI Key:
JOTAMMMRYKLWBB-UHFFFAOYSA-N
SMILES:
O=c1c(cocc1c1ccccc1)c1ccccc1
NSC Number:
135373
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.281g/mol
Monoisotopic Mass:
248.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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