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Home > Other Heterocycles > 88522-11-6
88522-11-6 | Bicyclo[3.3.1]nona-3,6-dien-2-one, 6-phenyl-
CAS No: 88522-11-6 Catalog No: AG004829 MDL No:
Product Description
Catalog Number:
AG004829
Chemical Name:
Bicyclo[3.3.1]nona-3,6-dien-2-one, 6-phenyl-
CAS Number:
88522-11-6
Molecular Formula:
C15H14O
Molecular Weight:
210.2711
IUPAC Name:
6-phenylbicyclo[3.3.1]nona-3,6-dien-2-one
InChI:
InChI=1S/C15H14O/c16-15-9-7-12-10-13(15)6-8-14(12)11-4-2-1-3-5-11/h1-5,7-9,12-13H,6,10H2
InChI Key:
CNVYVKMTUCXTOZ-UHFFFAOYSA-N
SMILES:
O=C1C=CC2CC1CC=C2c1ccccc1
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.276g/mol
Monoisotopic Mass:
210.104g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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