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Home > Indoles and Oxindole > 203661-66-9
203661-66-9 | (3aR,7aS)-rel-2-Benzyl-5-hydroxy-octahydro-2H-Isoindole-B12968
CAS No: 203661-66-9 Catalog No: AG019G9H MDL No:
Product Description
Catalog Number:
AG019G9H
Chemical Name:
(3aR,7aS)-rel-2-Benzyl-5-hydroxy-octahydro-2H-Isoindole-B12968
CAS Number:
203661-66-9
IUPAC Name:
2-benzyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
InChI:
InChI=1S/C15H21NO/c17-15-7-6-13-10-16(11-14(13)8-15)9-12-4-2-1-3-5-12/h1-5,13-15,17H,6-11H2
InChI Key:
JKVSRYCSJRCKHR-UHFFFAOYSA-N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.162g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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