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Home > Quinoline > 182296-78-2
182296-78-2 | Isoquinoline, 1-ethyl-3,4-dihydro-6,7-dimethoxy-, 2-oxide
CAS No: 182296-78-2 Catalog No: AG0023L3 MDL No:
Product Description
Catalog Number:
AG0023L3
Chemical Name:
Isoquinoline, 1-ethyl-3,4-dihydro-6,7-dimethoxy-, 2-oxide
CAS Number:
182296-78-2
Molecular Formula:
C13H17NO3
Molecular Weight:
235.2790
IUPAC Name:
1-ethyl-6,7-dimethoxy-2-oxido-3,4-dihydroisoquinolin-2-ium
InChI:
InChI=1S/C13H17NO3/c1-4-11-10-8-13(17-3)12(16-2)7-9(10)5-6-14(11)15/h7-8H,4-6H2,1-3H3
InChI Key:
ZGJVRSGYJKGCBZ-UHFFFAOYSA-N
SMILES:
CCC1=[N+]([O-])CCc2c1cc(OC)c(c2)OC
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.121g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.283g/mol
Monoisotopic Mass:
235.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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