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Home > Indoles and Oxindole > 86879-78-9
86879-78-9 | 3H-Indolium, 5-methoxy-1,2,3,3-tetramethyl-, perchlorate
CAS No: 86879-78-9 Catalog No: AG004IC2 MDL No:
Product Description
Catalog Number:
AG004IC2
Chemical Name:
3H-Indolium, 5-methoxy-1,2,3,3-tetramethyl-, perchlorate
CAS Number:
86879-78-9
Molecular Formula:
C13H18ClNO5
Molecular Weight:
303.7387
IUPAC Name:
5-methoxy-1,2,3,3-tetramethylindol-1-ium;perchlorate
InChI:
InChI=1S/C13H18NO.ClHO4/c1-9-13(2,3)11-8-10(15-5)6-7-12(11)14(9)4;2-1(3,4)5/h6-8H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
FNZIJXRYXBSPDP-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.COc1ccc2c(c1)C(C)(C)C(=[N+]2C)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.739g/mol
Monoisotopic Mass:
303.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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