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157830-16-5 | Pyridinium, 1-[2-(2-pyridinyl)acetyl]-, iodide (1:1)
CAS No: 157830-16-5 Catalog No: AG001PQE MDL No:
Product Description
Catalog Number:
AG001PQE
Chemical Name:
Pyridinium, 1-[2-(2-pyridinyl)acetyl]-, iodide (1:1)
CAS Number:
157830-16-5
Molecular Formula:
C12H11IN2O
Molecular Weight:
326.1330
IUPAC Name:
1-pyridin-1-ium-1-yl-2-pyridin-2-ylethanone;iodide
InChI:
InChI=1S/C12H11N2O.HI/c15-12(14-8-4-1-5-9-14)10-11-6-2-3-7-13-11;/h1-9H,10H2;1H/q+1;/p-1
InChI Key:
DLYSQNAHOHUGNB-UHFFFAOYSA-M
SMILES:
O=C([n+]1ccccc1)Cc1ccccn1.[I-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.992g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.137g/mol
Monoisotopic Mass:
325.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
33.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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