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Home > Other Heterocycles > 86067-58-5
86067-58-5 | Bicyclo[4.4.1]undeca-2,4,8-triene
CAS No: 86067-58-5 Catalog No: AG004LPN MDL No:
Product Description
Catalog Number:
AG004LPN
Chemical Name:
Bicyclo[4.4.1]undeca-2,4,8-triene
CAS Number:
86067-58-5
Molecular Formula:
C11H14
Molecular Weight:
146.2289
IUPAC Name:
bicyclo[4.4.1]undeca-2,4,8-triene
InChI:
InChI=1S/C11H14/c1-2-6-11-8-4-3-7-10(5-1)9-11/h1-6,10-11H,7-9H2
InChI Key:
MTMLEIAJSBLWQM-UHFFFAOYSA-N
SMILES:
C1=CCC2CC(C1)C=CC=C2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.11g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.233g/mol
Monoisotopic Mass:
146.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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