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112434-98-7 | Quinolinium, 7-methoxy-1-propyl-, iodide
CAS No: 112434-98-7 Catalog No: AG0082HW MDL No:
Product Description
Catalog Number:
AG0082HW
Chemical Name:
Quinolinium, 7-methoxy-1-propyl-, iodide
CAS Number:
112434-98-7
Molecular Formula:
C13H16INO
Molecular Weight:
329.1767
IUPAC Name:
7-methoxy-1-propylquinolin-1-ium;iodide
InChI:
InChI=1S/C13H16NO.HI/c1-3-8-14-9-4-5-11-6-7-12(15-2)10-13(11)14;/h4-7,9-10H,3,8H2,1-2H3;1H/q+1;/p-1
InChI Key:
KXDYMRSZZMRAHR-UHFFFAOYSA-M
SMILES:
CCC[n+]1cccc2c1cc(OC)cc2.[I-]
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.181g/mol
Monoisotopic Mass:
329.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
13.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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