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89042-61-5 | Isoquinoline, 1-ethyl-3,4-dihydro-6,7-dimethoxy-, methanesulfonate
CAS No: 89042-61-5 Catalog No: AG0043BD MDL No:
Product Description
Catalog Number:
AG0043BD
Chemical Name:
Isoquinoline, 1-ethyl-3,4-dihydro-6,7-dimethoxy-, methanesulfonate
CAS Number:
89042-61-5
Molecular Formula:
C14H21NO5S
Molecular Weight:
315.3852
IUPAC Name:
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
InChI:
InChI=1S/C13H17NO2.CH4O3S/c1-4-11-10-8-13(16-3)12(15-2)7-9(10)5-6-14-11;1-5(2,3)4/h7-8H,4-6H2,1-3H3;1H3,(H,2,3,4)
InChI Key:
PJIQJZKYLZYERJ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CCC1=NCCc2c1cc(OC)c(c2)OC
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.384g/mol
Monoisotopic Mass:
315.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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