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1452487-96-5 | 7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrate hydrochloride
CAS No: 1452487-96-5 Catalog No: AG01BGLI MDL No:MFCD09759058
Product Description
Catalog Number:
AG01BGLI
Chemical Name:
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrate hydrochloride
CAS Number:
1452487-96-5
Molecular Formula:
C11H18ClNO3
Molecular Weight:
247.7185
MDL Number:
MFCD09759058
IUPAC Name:
7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol;hydrate;hydrochloride
InChI:
InChI=1S/C11H15NO2.ClH.H2O/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7;;/h5-7,12-13H,3-4H2,1-2H3;1H;1H2
InChI Key:
FIKVMEMBNSCTAS-UHFFFAOYSA-N
SMILES:
COc1cc2C(C)NCCc2cc1O.O.Cl
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
247.719g/mol
Monoisotopic Mass:
247.098g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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