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Home > Pyridines > 1823582-68-8
1823582-68-8 | (8-AZABICYCLO[3.2.1]OCTAN-3-YL)(PYRIDIN-4-YL)METHANOL OXALATE
CAS No: 1823582-68-8 Catalog No: AG01AS73 MDL No:MFCD28166077
Product Description
Catalog Number:
AG01AS73
Chemical Name:
(8-AZABICYCLO[3.2.1]OCTAN-3-YL)(PYRIDIN-4-YL)METHANOL OXALATE
CAS Number:
1823582-68-8
Molecular Formula:
C15H20N2O5
Molecular Weight:
308.3297
MDL Number:
MFCD28166077
IUPAC Name:
8-azabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanol;oxalic acid
InChI:
InChI=1S/C13H18N2O.C2H2O4/c16-13(9-3-5-14-6-4-9)10-7-11-1-2-12(8-10)15-11;3-1(4)2(5)6/h3-6,10-13,15-16H,1-2,7-8H2;(H,3,4)(H,5,6)
InChI Key:
PRAZPDRUIQQJQO-UHFFFAOYSA-N
SMILES:
OC(c1ccncc1)C1CC2CCC(C1)N2.OC(=O)C(=O)O
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
308.334g/mol
Monoisotopic Mass:
308.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
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