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Home > Other Heterocycles > 89610-84-4
89610-84-4 | Bicyclo[2.2.1]heptane, 1-(1,3,5-cycloheptatrien-1-yl)-
CAS No: 89610-84-4 Catalog No: AG003XFG MDL No:
Product Description
Catalog Number:
AG003XFG
Chemical Name:
Bicyclo[2.2.1]heptane, 1-(1,3,5-cycloheptatrien-1-yl)-
CAS Number:
89610-84-4
Molecular Formula:
C14H18
Molecular Weight:
186.2927
IUPAC Name:
1-cyclohepta-1,3,5-trien-1-ylbicyclo[2.2.1]heptane
InChI:
InChI=1S/C14H18/c1-2-4-6-13(5-3-1)14-9-7-12(11-14)8-10-14/h1-5,12H,6-11H2
InChI Key:
YUGCVODVUKQJRS-UHFFFAOYSA-N
SMILES:
C1=CCC(=CC=C1)C12CCC(C2)CC1
Properties
Complexity:
309
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:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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