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90265-11-5 | Pyridinium, 1-tridecyl-, iodide
CAS No: 90265-11-5 Catalog No: AG006HEP MDL No:
Product Description
Catalog Number:
AG006HEP
Chemical Name:
Pyridinium, 1-tridecyl-, iodide
CAS Number:
90265-11-5
Molecular Formula:
C18H32IN
Molecular Weight:
389.3579
IUPAC Name:
1-tridecylpyridin-1-ium;iodide
InChI:
InChI=1S/C18H32N.HI/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19;/h12,14-15,17-18H,2-11,13,16H2,1H3;1H/q+1;/p-1
InChI Key:
VERNXHLNRAWXBZ-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCC[n+]1ccccc1.[I-]
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.158g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
389.365g/mol
Monoisotopic Mass:
389.158g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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