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Home > Indoles and Oxindole > 73811-00-4
73811-00-4 | 3H-Indolium, 2,3,3-trimethyl-1-octadecyl-, iodide
CAS No: 73811-00-4 Catalog No: AG005X35 MDL No:
Product Description
Catalog Number:
AG005X35
Chemical Name:
3H-Indolium, 2,3,3-trimethyl-1-octadecyl-, iodide
CAS Number:
73811-00-4
Molecular Formula:
C29H50IN
Molecular Weight:
539.6185
IUPAC Name:
2,3,3-trimethyl-1-octadecylindol-1-ium;iodide
InChI:
InChI=1S/C29H50N.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-25-30-26(2)29(3,4)27-23-20-21-24-28(27)30;/h20-21,23-24H,5-19,22,25H2,1-4H3;1H/q+1;/p-1
InChI Key:
KQZMCGJLGPJJHX-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCCCCCCC[N+]1=C(C)C(c2c1cccc2)(C)C.[I-]
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
539.299g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
539.63g/mol
Monoisotopic Mass:
539.299g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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