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53676-94-1 | 1-[2-(furan-2-yl)-2-oxoethyl]pyridin-1-ium iodide
CAS No: 53676-94-1 Catalog No: AG00IONU MDL No:MFCD00140542
Product Description
Catalog Number:
AG00IONU
Chemical Name:
1-[2-(furan-2-yl)-2-oxoethyl]pyridin-1-ium iodide
CAS Number:
53676-94-1
Molecular Formula:
C11H10INO2
Molecular Weight:
315.1071
MDL Number:
MFCD00140542
IUPAC Name:
1-(furan-2-yl)-2-pyridin-1-ium-1-ylethanone;iodide
InChI:
InChI=1S/C11H10NO2.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:
LFPJPCVWKFUQOJ-UHFFFAOYSA-M
SMILES:
O=C(c1ccco1)C[n+]1ccccc1.[I-]
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.976g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.11g/mol
Monoisotopic Mass:
314.976g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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