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Home > Other Heterocycles > 147678-04-4
147678-04-4 | 2-Propen-1-one, 1-phenyl-3-(3-phenylbicyclo[2.2.1]hepta-2,5-dien-2-yl)-
CAS No: 147678-04-4 Catalog No: AG001F3J MDL No:
Product Description
Catalog Number:
AG001F3J
Chemical Name:
2-Propen-1-one, 1-phenyl-3-(3-phenylbicyclo[2.2.1]hepta-2,5-dien-2-yl)-
CAS Number:
147678-04-4
Molecular Formula:
C22H18O
Molecular Weight:
298.3777
IUPAC Name:
1-phenyl-3-(3-phenyl-2-bicyclo[2.2.1]hepta-2,5-dienyl)prop-2-en-1-one
InChI:
InChI=1S/C22H18O/c23-21(16-7-3-1-4-8-16)14-13-20-18-11-12-19(15-18)22(20)17-9-5-2-6-10-17/h1-14,18-19H,15H2
InChI Key:
VVEHXEWDLIBCSS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)C=CC1=C(c2ccccc2)C2CC1C=C2
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.136g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.385g/mol
Monoisotopic Mass:
298.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.6
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