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Home > Other Heterocycles > 89398-54-9
89398-54-9 | Bicyclo[5.2.1]dec-7-ene, 1-phenyl-
CAS No: 89398-54-9 Catalog No: AG003WAS MDL No:
Product Description
Catalog Number:
AG003WAS
Chemical Name:
Bicyclo[5.2.1]dec-7-ene, 1-phenyl-
CAS Number:
89398-54-9
Molecular Formula:
C16H20
Molecular Weight:
212.3300
IUPAC Name:
7-phenylbicyclo[5.2.1]dec-1(9)-ene
InChI:
InChI=1S/C16H20/c1-4-8-15(9-5-1)16-11-6-2-3-7-14(13-16)10-12-16/h1,4-5,8-10H,2-3,6-7,11-13H2
InChI Key:
FMFFTJRDXWBXFK-UHFFFAOYSA-N
SMILES:
C1CCC2=CCC(CC1)(C2)c1ccccc1
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.157g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.336g/mol
Monoisotopic Mass:
212.157g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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