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87453-64-3 | Pyridinium, 3-acetyl-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide
CAS No: 87453-64-3 Catalog No: AG004FTY MDL No:
Product Description
Catalog Number:
AG004FTY
Chemical Name:
Pyridinium, 3-acetyl-1,2,5,6-tetrahydro-1,1-dimethyl-, iodide
CAS Number:
87453-64-3
Molecular Formula:
C9H16INO
Molecular Weight:
281.1339
IUPAC Name:
1-(1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium-5-yl)ethanone;iodide
InChI:
InChI=1S/C9H16NO.HI/c1-8(11)9-5-4-6-10(2,3)7-9;/h5H,4,6-7H2,1-3H3;1H/q+1;/p-1
InChI Key:
FZCIGDJTUALRNE-UHFFFAOYSA-M
SMILES:
CC(=O)C1=CCC[N+](C1)(C)C.[I-]
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.028g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.137g/mol
Monoisotopic Mass:
281.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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