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Home > Other Heterocycles > 138369-20-7
138369-20-7 | Bicyclo[4.2.0]octa-1,3,5-triene, 3,3'-(1,4-phenylene)bis-
CAS No: 138369-20-7 Catalog No: AG0018NB MDL No:
Product Description
Catalog Number:
AG0018NB
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 3,3'-(1,4-phenylene)bis-
CAS Number:
138369-20-7
Molecular Formula:
C22H18
Molecular Weight:
282.3783
IUPAC Name:
3-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
InChI:
InChI=1S/C22H18/c1-2-16(20-10-6-18-8-12-22(18)14-20)4-3-15(1)19-9-5-17-7-11-21(17)13-19/h1-6,9-10,13-14H,7-8,11-12H2
InChI Key:
MBLIQFJYYZKHAW-UHFFFAOYSA-N
SMILES:
c1cc2CCc2cc1c1ccc(cc1)c1ccc2c(c1)CC2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.386g/mol
Monoisotopic Mass:
282.141g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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