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6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

CAS: 30740-95-5

Formula: C12H16ClNO4

SMILES: Cl.COC1=CC2=C(CC(NC2)C(O)=O)C=C1OC

IUPAC: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride

InChI: InChI=1/C12H15NO4.ClH/c1-16-10-4-7-3-9(12(14)15)13-6-8(7)5-11(10)17-2;/h4-5,9,13H,3,6H2,1-2H3,(H,14,15);1H

Composition: C (52.66%), H (5.89%), Cl (12.95%), N (5.12%), O (23.38%)

Molar Mass: 273.71

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 273.0767857
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey ROWPWZMWICGKBY-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.37
Topological Polar Surface Area 67.79
Polarizability 24.07
Ring Count 2
Rotatable Bond Count 3

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