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Home > Other Heterocycles > 88386-33-8
88386-33-8 | Bicyclo[4.1.1]octa-1,5-diene
CAS No: 88386-33-8 Catalog No: AG004LJQ MDL No:
Product Description
Catalog Number:
AG004LJQ
Chemical Name:
Bicyclo[4.1.1]octa-1,5-diene
CAS Number:
88386-33-8
Molecular Formula:
C8H10
Molecular Weight:
106.1650
IUPAC Name:
bicyclo[4.1.1]octa-1,5-diene
InChI:
InChI=1S/C8H10/c1-2-4-8-5-7(3-1)6-8/h3-4H,1-2,5-6H2
InChI Key:
RRCSONLHOYBYQC-UHFFFAOYSA-N
SMILES:
C1CC=C2CC(=C1)C2
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
106.078g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
106.168g/mol
Monoisotopic Mass:
106.078g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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