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Home > Other Heterocycles > 40985-77-1
40985-77-1 | Bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene
CAS No: 40985-77-1 Catalog No: AG0073QI MDL No:
Product Description
Catalog Number:
AG0073QI
Chemical Name:
Bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene
CAS Number:
40985-77-1
Molecular Formula:
C13H12
Molecular Weight:
168.2344
IUPAC Name:
bicyclo[5.5.1]trideca-1,3,5,7,9,11-hexaene
InChI:
InChI=1S/C13H12/c1-3-7-12-9-5-2-6-10-13(11-12)8-4-1/h1-10H,11H2
InChI Key:
QEXJUYTYAMLQAT-UHFFFAOYSA-N
SMILES:
C1=CC=C2C=CC=CC=C(C=C1)C2
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.094g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.239g/mol
Monoisotopic Mass:
168.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
6
XLogP3:
3.8
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