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102242-28-4 | 1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
CAS No: 102242-28-4 Catalog No: AG0006ZY MDL No:
Product Description
Catalog Number:
AG0006ZY
Chemical Name:
1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
CAS Number:
102242-28-4
Molecular Formula:
C21H16O2
Molecular Weight:
300.3505
IUPAC Name:
3-benzyl-3-phenyl-2-benzofuran-1-one
InChI:
InChI=1S/C21H16O2/c22-20-18-13-7-8-14-19(18)21(23-20,17-11-5-2-6-12-17)15-16-9-3-1-4-10-16/h1-14H,15H2
InChI Key:
FIOFTNINTRQDRO-UHFFFAOYSA-N
SMILES:
O=C1OC(c2c1cccc2)(Cc1ccccc1)c1ccccc1
NSC Number:
154695
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.357g/mol
Monoisotopic Mass:
300.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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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