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465536-44-1 | (4S,4AS,8AS)-4-PHENYLDECAHYDRO-4-QUINOLINOL
CAS No: 465536-44-1 Catalog No: AG00DD6N MDL No:MFCD00810931
Product Description
Catalog Number:
AG00DD6N
Chemical Name:
(4S,4AS,8AS)-4-PHENYLDECAHYDRO-4-QUINOLINOL
CAS Number:
465536-44-1
Molecular Formula:
C15H21NO
Molecular Weight:
231.3333
MDL Number:
MFCD00810931
IUPAC Name:
(4S,4aS,8aS)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol
InChI:
InChI=1S/C15H21NO/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15/h1-3,6-7,13-14,16-17H,4-5,8-11H2/t13-,14-,15+/m0/s1
InChI Key:
JENIXYWBDVSBMO-SOUVJXGZSA-N
SMILES:
O[C@]1(CCN[C@@H]2[C@@H]1CCCC2)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
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:
2
Isotope Atom Count:
0
Molecular Weight:
231.339g/mol
Monoisotopic Mass:
231.162g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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