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69821-61-0 | 2,4,6-Trimethyl-1-(prop-2-en-1-yl)pyridin-1-ium perchlorate
CAS No: 69821-61-0 Catalog No: AG01EX0K MDL No:
Product Description
Catalog Number:
AG01EX0K
Chemical Name:
2,4,6-Trimethyl-1-(prop-2-en-1-yl)pyridin-1-ium perchlorate
CAS Number:
69821-61-0
Molecular Formula:
C11H16ClNO4
Molecular Weight:
261.7020
IUPAC Name:
2,4,6-trimethyl-1-prop-2-enylpyridin-1-ium;perchlorate
InChI:
InChI=1S/C11H16N.ClHO4/c1-5-6-12-10(3)7-9(2)8-11(12)4;2-1(3,4)5/h5,7-8H,1,6H2,2-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PMYORQZAKZZWLW-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.C=CC[n+]1c(C)cc(cc1C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.077g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.702g/mol
Monoisotopic Mass:
261.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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