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Home > Other Heterocycles > 652991-08-7
652991-08-7 | Bicyclo[2.2.2]octa-2,5-diene, 7,8-bis(phenylmethoxy)-, (7S,8S)-
CAS No: 652991-08-7 Catalog No: AG006TLS MDL No:
Product Description
Catalog Number:
AG006TLS
Chemical Name:
Bicyclo[2.2.2]octa-2,5-diene, 7,8-bis(phenylmethoxy)-, (7S,8S)-
CAS Number:
652991-08-7
Molecular Formula:
C22H22O2
Molecular Weight:
318.4089
IUPAC Name:
(7S,8S)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]octa-2,5-diene
InChI:
InChI=1S/C22H22O2/c1-3-7-17(8-4-1)15-23-21-19-11-13-20(14-12-19)22(21)24-16-18-9-5-2-6-10-18/h1-14,19-22H,15-16H2/t19?,20?,21-,22-/m0/s1
InChI Key:
XMPYSCNBUFBPOL-UJKMTWAASA-N
SMILES:
O([C@H]1C2C=CC([C@@H]1OCc1ccccc1)C=C2)Cc1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
318.162g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.416g/mol
Monoisotopic Mass:
318.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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