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Home > Other Heterocycles > 99717-86-9
99717-86-9 | Bicyclo[4.2.0]octa-1,3,5-triene, 3,3'-(1,2-ethenediyl)bis-
CAS No: 99717-86-9 Catalog No: AG005S0G MDL No:
Product Description
Catalog Number:
AG005S0G
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 3,3'-(1,2-ethenediyl)bis-
CAS Number:
99717-86-9
Molecular Formula:
C18H16
Molecular Weight:
232.3196
IUPAC Name:
3-[2-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)ethenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
InChI:
InChI=1S/C18H16/c1(13-3-5-15-7-9-17(15)11-13)2-14-4-6-16-8-10-18(16)12-14/h1-6,11-12H,7-10H2
InChI Key:
BDBUBPBBXPHOIC-UHFFFAOYSA-N
SMILES:
C(=Cc1ccc2c(c1)CC2)c1ccc2c(c1)CC2
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.125g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.326g/mol
Monoisotopic Mass:
232.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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