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Home > Other Heterocycles > 16456-33-0
16456-33-0 | Bicyclo[4.2.1]non-3-ene
CAS No: 16456-33-0 Catalog No: AG001UXY MDL No:
Product Description
Catalog Number:
AG001UXY
Chemical Name:
Bicyclo[4.2.1]non-3-ene
CAS Number:
16456-33-0
Molecular Formula:
C9H14
Molecular Weight:
122.2075
IUPAC Name:
bicyclo[4.2.1]non-3-ene
InChI:
InChI=1S/C9H14/c1-2-4-9-6-5-8(3-1)7-9/h1-2,8-9H,3-7H2
InChI Key:
VQBSXAZGFWSWHD-UHFFFAOYSA-N
SMILES:
C1=CCC2CC(C1)CC2
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.11g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.211g/mol
Monoisotopic Mass:
122.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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