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757879-62-2 | Quinolinium, 1-ethyl-6-methoxy-
CAS No: 757879-62-2 Catalog No: AG0059ZK MDL No:
Product Description
Catalog Number:
AG0059ZK
Chemical Name:
Quinolinium, 1-ethyl-6-methoxy-
CAS Number:
757879-62-2
Molecular Formula:
C12H14NO+
Molecular Weight:
188.2457
IUPAC Name:
1-ethyl-6-methoxyquinolin-1-ium
InChI:
InChI=1S/C12H14NO/c1-3-13-8-4-5-10-9-11(14-2)6-7-12(10)13/h4-9H,3H2,1-2H3/q+1
InChI Key:
OOGUQQIJHLLJDC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc[n+]2CC
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.108g/mol
Formal Charge:
1
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.25g/mol
Monoisotopic Mass:
188.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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