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69403-61-8 | 1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridin-1-ium tetrafluoroboranuide
CAS No: 69403-61-8 Catalog No: AG01EWZQ MDL No:
Product Description
Catalog Number:
AG01EWZQ
Chemical Name:
1-(2-Ethoxy-2-oxoethyl)-2,4,6-trimethylpyridin-1-ium tetrafluoroboranuide
CAS Number:
69403-61-8
Molecular Formula:
C12H18BF4NO2
Molecular Weight:
295.0814
IUPAC Name:
ethyl 2-(2,4,6-trimethylpyridin-1-ium-1-yl)acetate;tetrafluoroborate
InChI:
InChI=1S/C12H18NO2.BF4/c1-5-15-12(14)8-13-10(3)6-9(2)7-11(13)4;2-1(3,4)5/h6-7H,5,8H2,1-4H3;/q+1;-1
InChI Key:
YLVZXSIPVNKHCR-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CCOC(=O)C[n+]1c(C)cc(cc1C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.085g/mol
Monoisotopic Mass:
295.137g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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