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102073-77-8,MFCD07345585
Catalog No.:AA0006IG
102073-77-8 | 4-Isoquinolinol, 1,2,3,4-tetrahydro-5,8-dimethoxy-
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1g
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$1,121.00   $785.00
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Technical Information
Catalog Number:
AA0006IG
Chemical Name:
4-Isoquinolinol, 1,2,3,4-tetrahydro-5,8-dimethoxy-
CAS Number:
102073-77-8
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
MDL Number:
MFCD07345585
IUPAC Name:
5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
InChI:
InChI=1S/C11H15NO3.ClH/c1-14-9-3-4-10(15-2)11-7(9)5-12-6-8(11)13;/h3-4,8,12-13H,5-6H2,1-2H3;1H
InChI Key:
MHNUUXMMQHLYEV-UHFFFAOYSA-N
SMILES:
COc1ccc(c2c1C(O)CNC2)OC
Properties
Computed Properties
 
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.082g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
245.703g/mol
Monoisotopic Mass:
245.082g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol hydrochloride 
102073-77-8 
EN300-14604 
5,8-DIMETHOXY-1,2,3,4-TETRAHYDRO-4-ISOQUINOLINOL HYDROCHLORIDE 
5,8-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-ol--hydrogen chloride (1/1) 
1052540-04-1 
C11H16ClNO3 
MHNUUXMMQHLYEV-UHFFFAOYSA-N 
AC1Q3C12 
CTK8E5133 
DTXSID90585831 
0559AA 
AKOS009028753 
MCULE-9909688851 
RT-010021 
FT-0706814 
Literature
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