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Home > Other Heterocycles > 652991-04-3
652991-04-3 | Bicyclo[2.2.2]oct-5-en-2-one, 7,8-bis(phenylmethoxy)-, (1R,4S,7S,8S)-
CAS No: 652991-04-3 Catalog No: AG006TLT MDL No:
Product Description
Catalog Number:
AG006TLT
Chemical Name:
Bicyclo[2.2.2]oct-5-en-2-one, 7,8-bis(phenylmethoxy)-, (1R,4S,7S,8S)-
CAS Number:
652991-04-3
Molecular Formula:
C22H22O3
Molecular Weight:
334.4083
IUPAC Name:
(1R,4S,7S,8S)-7,8-bis(phenylmethoxy)bicyclo[2.2.2]oct-5-en-2-one
InChI:
InChI=1S/C22H22O3/c23-20-13-18-11-12-19(20)22(25-15-17-9-5-2-6-10-17)21(18)24-14-16-7-3-1-4-8-16/h1-12,18-19,21-22H,13-15H2/t18-,19+,21+,22+/m1/s1
InChI Key:
HKLCIVWWLLYENC-WAGURGNTSA-N
SMILES:
O=C1C[C@H]2C=C[C@@H]1[C@@H]([C@H]2OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
334.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.415g/mol
Monoisotopic Mass:
334.157g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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