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87452-52-6 | 5H-Cyclohepta[b]pyridin-9-ol, 8-amino-6,7,8,9-tetrahydro-, cis-
CAS No: 87452-52-6 Catalog No: AG004HHG MDL No:
Product Description
Catalog Number:
AG004HHG
Chemical Name:
5H-Cyclohepta[b]pyridin-9-ol, 8-amino-6,7,8,9-tetrahydro-, cis-
CAS Number:
87452-52-6
Molecular Formula:
C10H14N2O
Molecular Weight:
178.2310
IUPAC Name:
(8R,9R)-8-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
InChI:
InChI=1S/C10H14N2O/c11-8-5-1-3-7-4-2-6-12-9(7)10(8)13/h2,4,6,8,10,13H,1,3,5,11H2/t8-,10-/m1/s1
InChI Key:
LRLJHGMKPXVCIN-PSASIEDQSA-N
SMILES:
N[C@@H]1CCCc2c([C@@H]1O)nccc2
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
178.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.235g/mol
Monoisotopic Mass:
178.111g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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