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Home > Other Heterocycles > 6894-86-6
6894-86-6 | Bicyclo[4.2.0]octa-1,3,5-triene, 7,8-diphenyl-, cis-
CAS No: 6894-86-6 Catalog No: AG005MYS MDL No:
Product Description
Catalog Number:
AG005MYS
Chemical Name:
Bicyclo[4.2.0]octa-1,3,5-triene, 7,8-diphenyl-, cis-
CAS Number:
6894-86-6
Molecular Formula:
C20H16
Molecular Weight:
256.3410
IUPAC Name:
(7S,8R)-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
InChI:
InChI=1S/C20H16/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(19)16-11-5-2-6-12-16/h1-14,19-20H/t19-,20+
InChI Key:
QTXSQQLVXOBGBZ-BGYRXZFFSA-N
SMILES:
c1ccc(cc1)[C@@H]1c2ccccc2[C@@H]1c1ccccc1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
256.125g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.348g/mol
Monoisotopic Mass:
256.125g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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