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Home > Other Heterocycles > 694-87-1
694-87-1 | Bicyclo[4.2.0]octa-1,3,5-triene
CAS No: 694-87-1 Catalog No: AG003O21 MDL No:MFCD01321219
Product Description
Catalog Number:
AG003O21
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene
CAS Number:
694-87-1
Molecular Formula:
C8H8
Molecular Weight:
104.1491
MDL Number:
MFCD01321219
IUPAC Name:
bicyclo[4.2.0]octa-1,3,5-triene
InChI:
InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2
InChI Key:
UMIVXZPTRXBADB-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)CC2
Properties
Complexity:
74
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.063g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
104.152g/mol
Monoisotopic Mass:
104.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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