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1212151-67-1 | rac-(4S,4aS,8aR)-4-phenyldecahydro-4-quinolinol ethanedioate (salt)
CAS No: 1212151-67-1 Catalog No: AG01EHP2 MDL No:MFCD11841322
Product Description
Catalog Number:
AG01EHP2
Chemical Name:
rac-(4S,4aS,8aR)-4-phenyldecahydro-4-quinolinol ethanedioate (salt)
CAS Number:
1212151-67-1
Molecular Formula:
C17H23NO5
Molecular Weight:
321.3682
MDL Number:
MFCD11841322
IUPAC Name:
(4S,4aS,8aR)-4-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-ol;oxalic acid
InChI:
InChI=1S/C15H21NO.C2H2O4/c17-15(12-6-2-1-3-7-12)10-11-16-14-9-5-4-8-13(14)15;3-1(4)2(5)6/h1-3,6-7,13-14,16-17H,4-5,8-11H2;(H,3,4)(H,5,6)/t13-,14+,15+;/m0./s1
InChI Key:
KODAEYNISPMQSU-ONAKXNSWSA-N
SMILES:
O[C@]1(CCN[C@H]2[C@@H]1CCCC2)c1ccccc1.OC(=O)C(=O)O
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
321.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
321.373g/mol
Monoisotopic Mass:
321.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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