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18241-43-5 | Isoquinolinium, 1,2-dimethyl-
CAS No: 18241-43-5 Catalog No: AG0023V7 MDL No:
Product Description
Catalog Number:
AG0023V7
Chemical Name:
Isoquinolinium, 1,2-dimethyl-
CAS Number:
18241-43-5
Molecular Formula:
C11H12N+
Molecular Weight:
158.2197
IUPAC Name:
1,2-dimethylisoquinolin-2-ium
InChI:
InChI=1S/C11H12N/c1-9-11-6-4-3-5-10(11)7-8-12(9)2/h3-8H,1-2H3/q+1
InChI Key:
AJUWFPYSMJNTEP-UHFFFAOYSA-N
SMILES:
C[n+]1ccc2c(c1C)cccc2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.097g/mol
Formal Charge:
1
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.224g/mol
Monoisotopic Mass:
158.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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