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7465-65-8 | Pyridinium, 1-[2-oxo-2-(2-thienyl)ethyl]-, iodide (1:1)
CAS No: 7465-65-8 Catalog No: AG005ADY MDL No:MFCD00220830
Product Description
Catalog Number:
AG005ADY
Chemical Name:
Pyridinium, 1-[2-oxo-2-(2-thienyl)ethyl]-, iodide (1:1)
CAS Number:
7465-65-8
Molecular Formula:
C11H10INOS
Molecular Weight:
331.1727
MDL Number:
MFCD00220830
IUPAC Name:
2-pyridin-1-ium-1-yl-1-thiophen-2-ylethanone;iodide
InChI:
InChI=1S/C11H10NOS.HI/c13-10(11-5-4-8-14-11)9-12-6-2-1-3-7-12;/h1-8H,9H2;1H/q+1;/p-1
InChI Key:
OZHGVNXQVNUPAX-UHFFFAOYSA-M
SMILES:
O=C(c1cccs1)C[n+]1ccccc1.[I-]
NSC Number:
36732
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.953g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.171g/mol
Monoisotopic Mass:
330.953g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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