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Home > Other Heterocycles > 88226-16-8
88226-16-8 | Bicyclo[4.2.1]nona-2,4,7-triene, 1-phenyl-
CAS No: 88226-16-8 Catalog No: AG004B81 MDL No:
Product Description
Catalog Number:
AG004B81
Chemical Name:
Bicyclo[4.2.1]nona-2,4,7-triene, 1-phenyl-
CAS Number:
88226-16-8
Molecular Formula:
C15H14
Molecular Weight:
194.2717
IUPAC Name:
1-phenylbicyclo[4.2.1]nona-2,4,7-triene
InChI:
InChI=1S/C15H14/c1-2-7-14(8-3-1)15-10-5-4-6-13(12-15)9-11-15/h1-11,13H,12H2
InChI Key:
OAFDSFGAOXLSNI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C12C=CC=CC(C2)C=C1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.11g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.277g/mol
Monoisotopic Mass:
194.11g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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