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Home > Other Heterocycles > 28623-84-9
28623-84-9 | Phenol, 3-[(1R,5S)-2-methyl-2-azabicyclo[3.3.1]non-5-yl]-
CAS No: 28623-84-9 Catalog No: AG002VWH MDL No:
Product Description
Catalog Number:
AG002VWH
Chemical Name:
Phenol, 3-[(1R,5S)-2-methyl-2-azabicyclo[3.3.1]non-5-yl]-
CAS Number:
28623-84-9
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
IUPAC Name:
3-[(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-5-yl]phenol
InChI:
InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3/t13-,15+/m1/s1
InChI Key:
ZQJGRSYDDMBMPJ-HIFRSBDPSA-N
SMILES:
Oc1cccc(c1)[C@@]12CCC[C@H](C2)N(CC1)C
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
1
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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