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20205-29-2 | 3H-Indolium, 2,3,3-trimethyl-1-propyl-, iodide (1:1)
CAS No: 20205-29-2 Catalog No: AG00280O MDL No:
Product Description
Catalog Number:
AG00280O
Chemical Name:
3H-Indolium, 2,3,3-trimethyl-1-propyl-, iodide (1:1)
CAS Number:
20205-29-2
Molecular Formula:
C14H20IN
Molecular Weight:
329.2198
IUPAC Name:
2,3,3-trimethyl-1-propylindol-1-ium;iodide
InChI:
InChI=1S/C14H20N.HI/c1-5-10-15-11(2)14(3,4)12-8-6-7-9-13(12)15;/h6-9H,5,10H2,1-4H3;1H/q+1;/p-1
InChI Key:
MLAILDKCWXHXQA-UHFFFAOYSA-M
SMILES:
CCC[N+]1=C(C)C(c2c1cccc2)(C)C.[I-]
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.225g/mol
Monoisotopic Mass:
329.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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