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Home > Indoles and Oxindole > 106129-47-9
106129-47-9 | 3H-Pyrido[3,4-b]indolium, 4,9-dihydro-2-methyl-, perchlorate
CAS No: 106129-47-9 Catalog No: AG007DNF MDL No:
Product Description
Catalog Number:
AG007DNF
Chemical Name:
3H-Pyrido[3,4-b]indolium, 4,9-dihydro-2-methyl-, perchlorate
CAS Number:
106129-47-9
Molecular Formula:
C12H13ClN2O4
Molecular Weight:
284.6956
IUPAC Name:
2-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium;perchlorate
InChI:
InChI=1S/C12H12N2.ClHO4/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14;2-1(3,4)5/h2-5,8H,6-7H2,1H3;(H,2,3,4,5)
InChI Key:
JGLZJHHRZQLUJC-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.C[N+]1=Cc2c(CC1)c1c([nH]2)cccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.056g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.696g/mol
Monoisotopic Mass:
284.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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