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Home > Other Heterocycles > 16216-91-4
16216-91-4 | Bicyclo[3.2.2]nona-2,6,8-triene
CAS No: 16216-91-4 Catalog No: AG001STV MDL No:
Product Description
Catalog Number:
AG001STV
Chemical Name:
Bicyclo[3.2.2]nona-2,6,8-triene
CAS Number:
16216-91-4
Molecular Formula:
C9H10
Molecular Weight:
118.1757
IUPAC Name:
bicyclo[3.2.2]nona-2,6,8-triene
InChI:
InChI=1S/C9H10/c1-2-8-4-6-9(3-1)7-5-8/h1-2,4-9H,3H2
InChI Key:
UTRZKHJDMXPOGY-UHFFFAOYSA-N
SMILES:
C1=CC2C=CC(C1)C=C2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.078g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.179g/mol
Monoisotopic Mass:
118.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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