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Home > Other Heterocycles > 16643-41-7
16643-41-7 | Bicyclo[3.3.1]non-2-en-9-one, 2,4-diphenyl-
CAS No: 16643-41-7 Catalog No: AG001WQC MDL No:
Product Description
Catalog Number:
AG001WQC
Chemical Name:
Bicyclo[3.3.1]non-2-en-9-one, 2,4-diphenyl-
CAS Number:
16643-41-7
Molecular Formula:
C21H20O
Molecular Weight:
288.3829
IUPAC Name:
2,4-diphenylbicyclo[3.3.1]non-2-en-9-one
InChI:
InChI=1S/C21H20O/c22-21-17-12-7-13-18(21)20(16-10-5-2-6-11-16)14-19(17)15-8-3-1-4-9-15/h1-6,8-11,14,17-19H,7,12-13H2
InChI Key:
ZONFECJLZRPDKO-UHFFFAOYSA-N
SMILES:
O=C1C2CCCC1C(=CC2c1ccccc1)c1ccccc1
NSC Number:
117574
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.151g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.39g/mol
Monoisotopic Mass:
288.151g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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