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88477-49-0 | Pyridinium, 2,4-dimethyl-1-octyl-, iodide
CAS No: 88477-49-0 Catalog No: AG0049WP MDL No:
Product Description
Catalog Number:
AG0049WP
Chemical Name:
Pyridinium, 2,4-dimethyl-1-octyl-, iodide
CAS Number:
88477-49-0
Molecular Formula:
C15H26IN
Molecular Weight:
347.2781
IUPAC Name:
2,4-dimethyl-1-octylpyridin-1-ium;iodide
InChI:
InChI=1S/C15H26N.HI/c1-4-5-6-7-8-9-11-16-12-10-14(2)13-15(16)3;/h10,12-13H,4-9,11H2,1-3H3;1H/q+1;/p-1
InChI Key:
PSHAMCDWPCTUNV-UHFFFAOYSA-M
SMILES:
CCCCCCCC[n+]1ccc(cc1C)C.[I-]
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.284g/mol
Monoisotopic Mass:
347.111g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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