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931-75-9 | Bicyclo[5.1.0]oct-2-ene
CAS No: 931-75-9 Catalog No: AG0065LY MDL No:
Product Description
Catalog Number:
AG0065LY
Chemical Name:
Bicyclo[5.1.0]oct-2-ene
CAS Number:
931-75-9
Molecular Formula:
C8H12
Molecular Weight:
108.1809
IUPAC Name:
bicyclo[5.1.0]oct-2-ene
InChI:
InChI=1S/C8H12/c1-2-4-7-6-8(7)5-3-1/h2,4,7-8H,1,3,5-6H2
InChI Key:
PPFNYTNPPCUXBQ-UHFFFAOYSA-N
SMILES:
C1CCC2C(C=C1)C2
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.094g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.184g/mol
Monoisotopic Mass:
108.094g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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