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1955474-52-8 | rac-(4aS,8aS)-octahydro-4a(2H)-isoquinolinol hydrochloride
CAS No: 1955474-52-8 Catalog No: AG00J3G7 MDL No:MFCD03545903
Product Description
Catalog Number:
AG00J3G7
Chemical Name:
rac-(4aS,8aS)-octahydro-4a(2H)-isoquinolinol hydrochloride
CAS Number:
1955474-52-8
Molecular Formula:
C9H18ClNO
Molecular Weight:
191.6983
MDL Number:
MFCD03545903
IUPAC Name:
(4aS,8aS)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-4a-ol;hydrochloride
InChI:
InChI=1S/C9H17NO.ClH/c11-9-4-2-1-3-8(9)7-10-6-5-9;/h8,10-11H,1-7H2;1H/t8-,9-;/m0./s1
InChI Key:
YPFAFIHBCMTKFM-OZZZDHQUSA-N
SMILES:
O[C@@]12CCCC[C@H]2CNCC1.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
191.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
191.699g/mol
Monoisotopic Mass:
191.108g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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