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116954-47-3 | Hexacyclo[6.6.0.02,7.03,6.04,12.05,11]tetradecane (9CI)
CAS No: 116954-47-3 Catalog No: AG000DF2 MDL No:
Product Description
Catalog Number:
AG000DF2
Chemical Name:
Hexacyclo[6.6.0.02,7.03,6.04,12.05,11]tetradecane (9CI)
CAS Number:
116954-47-3
Molecular Formula:
C14H18
Molecular Weight:
186.2927
IUPAC Name:
hexacyclo[6.6.0.02,7.03,6.04,12.05,11]tetradecane
InChI:
InChI=1S/C14H18/c1-2-6-8-4-3-7-5(1)9-11(7)14-12(8)10(6)13(9)14/h5-14H,1-4H2
InChI Key:
CKJYSPOAHUCDBY-UHFFFAOYSA-N
SMILES:
C1CC2C3CCC4C1C1C4C4C1C2C34
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.141g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.298g/mol
Monoisotopic Mass:
186.141g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
8
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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