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Home > Pyridines > 116414-56-3
116414-56-3 | Pyridinium, 4-(acetyloxy)-2,3-dihydro-1-methyl-, chloride (1:1)
CAS No: 116414-56-3 Catalog No: AG000CFY MDL No:
Product Description
Catalog Number:
AG000CFY
Chemical Name:
Pyridinium, 4-(acetyloxy)-2,3-dihydro-1-methyl-, chloride (1:1)
CAS Number:
116414-56-3
Molecular Formula:
C8H12ClNO2
Molecular Weight:
189.6394
IUPAC Name:
(1-methyl-2,3-dihydropyridin-1-ium-4-yl) acetate;chloride
InChI:
InChI=1S/C8H12NO2.ClH/c1-7(10)11-8-3-5-9(2)6-4-8;/h3,5H,4,6H2,1-2H3;1H/q+1;/p-1
InChI Key:
LGFOTWLKXRIZIH-UHFFFAOYSA-M
SMILES:
CC(=O)OC1=CC=[N+](CC1)C.[Cl-]
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.639g/mol
Monoisotopic Mass:
189.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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