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Home > Pyridines > 113728-83-9
113728-83-9 | Pyridinium, 2,6-dimethyl-1-(2-oxoethyl)-4-phenyl-, perchlorate (1:1)
CAS No: 113728-83-9 Catalog No: AG0009H8 MDL No:
Product Description
Catalog Number:
AG0009H8
Chemical Name:
Pyridinium, 2,6-dimethyl-1-(2-oxoethyl)-4-phenyl-, perchlorate (1:1)
CAS Number:
113728-83-9
Molecular Formula:
C15H16ClNO5
Molecular Weight:
325.7442
IUPAC Name:
2-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)acetaldehyde;perchlorate
InChI:
InChI=1S/C15H16NO.ClHO4/c1-12-10-15(14-6-4-3-5-7-14)11-13(2)16(12)8-9-17;2-1(3,4)5/h3-7,9-11H,8H2,1-2H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
CIXIDWAZLXNJHV-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.O=CC[n+]1c(C)cc(cc1C)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.745g/mol
Monoisotopic Mass:
325.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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