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142597-56-6 | Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, 2-oxide
CAS No: 142597-56-6 Catalog No: AG006Y3B MDL No:
Product Description
Catalog Number:
AG006Y3B
Chemical Name:
Isoquinoline, 1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-, 2-oxide
CAS Number:
142597-56-6
Molecular Formula:
C12H17NO3
Molecular Weight:
223.2683
IUPAC Name:
6,7-dimethoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium
InChI:
InChI=1S/C12H17NO3/c1-13(14)5-4-9-6-11(15-2)12(16-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
InChI Key:
ZOOLWGISHSQSON-UHFFFAOYSA-N
SMILES:
COc1cc2C[N+]([O-])(C)CCc2cc1OC
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.272g/mol
Monoisotopic Mass:
223.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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