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81562-77-8 | (4AS,8AS)-OCTAHYDROISOQUINOLIN-4A(2H)-OL
CAS No: 81562-77-8 Catalog No: AG00G4KB MDL No:MFCD03448302
Product Description
Catalog Number:
AG00G4KB
Chemical Name:
(4AS,8AS)-OCTAHYDROISOQUINOLIN-4A(2H)-OL
CAS Number:
81562-77-8
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
MDL Number:
MFCD03448302
IUPAC Name:
(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol
InChI:
InChI=1S/C9H17NO/c11-9-4-2-1-3-8(9)7-10-6-5-9/h8,10-11H,1-7H2/t8-,9-/m0/s1
InChI Key:
JCCPJOSXNCXEPE-IUCAKERBSA-N
SMILES:
O[C@@]12CCCC[C@H]2CNCC1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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