Home Other Building Blocks (1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene

(1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene

CAS No.:
850409-83-5
Catalog Number:
AG00GAB2
Molecular Formula:
C20H18
Molecular Weight:
258.3569
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Product Description
Catalog Number:
AG00GAB2
Chemical Name:
(1S,4S)-2,5-Diphenylbicyclo[2,2,2]octa-2,5-diene
CAS Number:
850409-83-5
Molecular Formula:
C20H18
Molecular Weight:
258.3569
MDL Number:
MFCD15143645
IUPAC Name:
(1S,4S)-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
InChI:
InChI=1S/C20H18/c1-3-7-15(8-4-1)19-13-18-12-11-17(19)14-20(18)16-9-5-2-6-10-16/h1-10,13-14,17-18H,11-12H2/t17-,18-/m0/s1
InChI Key:
BDYBOFJAEBJDMI-ROUUACIJSA-N
SMILES:
C1C[C@H]2C=C([C@@H]1C=C2c1ccccc1)c1ccccc1
Properties
Complexity:
362  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
258.141g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.364g/mol
Monoisotopic Mass:
258.141g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties