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75877-71-3 | Isoquinoline, 3,4-dihydro-5,6-dimethoxy-, hydrochloride
CAS No: 75877-71-3 Catalog No: AG008P4X MDL No:
Product Description
Catalog Number:
AG008P4X
Chemical Name:
Isoquinoline, 3,4-dihydro-5,6-dimethoxy-, hydrochloride
CAS Number:
75877-71-3
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
IUPAC Name:
5,6-dimethoxy-3,4-dihydroisoquinoline;hydrochloride
InChI:
InChI=1S/C11H13NO2.ClH/c1-13-10-4-3-8-7-12-6-5-9(8)11(10)14-2;/h3-4,7H,5-6H2,1-2H3;1H
InChI Key:
SFNGGLQDSBAWAW-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1OC)CCN=C2.Cl
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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