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82815-11-0 | Quinolinium, 1-ethyl-3,4-dimethyl-, perchlorate
CAS No: 82815-11-0 Catalog No: AG008IG2 MDL No:
Product Description
Catalog Number:
AG008IG2
Chemical Name:
Quinolinium, 1-ethyl-3,4-dimethyl-, perchlorate
CAS Number:
82815-11-0
Molecular Formula:
C13H16ClNO4
Molecular Weight:
285.7234
IUPAC Name:
1-ethyl-3,4-dimethylquinolin-1-ium;perchlorate
InChI:
InChI=1S/C13H16N.ClHO4/c1-4-14-9-10(2)11(3)12-7-5-6-8-13(12)14;2-1(3,4)5/h5-9H,4H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
CIDGVZBSRPKMLS-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CC[n+]1cc(C)c(c2c1cccc2)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.077g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.724g/mol
Monoisotopic Mass:
285.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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