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3105-29-1 | Tetracyclo[3.3.1.02,8.04,6]nonane
CAS No: 3105-29-1 Catalog No: AG003209 MDL No:
Product Description
Catalog Number:
AG003209
Chemical Name:
Tetracyclo[3.3.1.02,8.04,6]nonane
CAS Number:
3105-29-1
Molecular Formula:
C9H12
Molecular Weight:
120.1916
IUPAC Name:
tetracyclo[3.3.1.02,8.04,6]nonane
InChI:
InChI=1S/C9H12/c1-4-6-2-7-5(1)9(7)3-8(4)6/h4-9H,1-3H2
InChI Key:
YTFCTXSQQPWYFH-UHFFFAOYSA-N
SMILES:
C1C2C3C2CC2C1C2C3
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.094g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.195g/mol
Monoisotopic Mass:
120.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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