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278-80-8 | Tricyclo[3.2.2.02,4]nonane
CAS No: 278-80-8 Catalog No: AG002UT0 MDL No:
Product Description
Catalog Number:
AG002UT0
Chemical Name:
Tricyclo[3.2.2.02,4]nonane
CAS Number:
278-80-8
Molecular Formula:
C9H14
Molecular Weight:
122.2075
IUPAC Name:
tricyclo[3.2.2.02,4]nonane
InChI:
InChI=1S/C9H14/c1-2-7-4-3-6(1)8-5-9(7)8/h6-9H,1-5H2
InChI Key:
WNYJJKBPJRYWNZ-UHFFFAOYSA-N
SMILES:
C1CC2CCC1C1C2C1
Properties
Complexity:
115
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
Literature
| Title | Journal |
|---|---|
| Oxidation of some cage hydrocarbons by dioxiranes. Nature of the transition structure for the reaction of C-H bonds with dimethyldioxirane: a comparison of B3PW91 density functional theory with experiment. | Organic & biomolecular chemistry 20070721 |
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