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25442-32-4 | Isoquinolinium, 7-hydroxy-6-methoxy-1,2-dimethyl-, iodide(1:1)
CAS No: 25442-32-4 Catalog No: AG007N4S MDL No:
Product Description
Catalog Number:
AG007N4S
Chemical Name:
Isoquinolinium, 7-hydroxy-6-methoxy-1,2-dimethyl-, iodide(1:1)
CAS Number:
25442-32-4
Molecular Formula:
C12H14INO2
Molecular Weight:
331.1495
IUPAC Name:
6-methoxy-1,2-dimethylisoquinolin-2-ium-7-ol;iodide
InChI:
InChI=1S/C12H13NO2.HI/c1-8-10-7-11(14)12(15-3)6-9(10)4-5-13(8)2;/h4-7H,1-3H3;1H
InChI Key:
AOEYGJIVGSKEIU-UHFFFAOYSA-N
SMILES:
COc1cc2cc[n+](c(c2cc1O)C)C.[I-]
NSC Number:
131710
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.007g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.153g/mol
Monoisotopic Mass:
331.007g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
33.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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