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20242-32-4 | Pyridinium, 1-ethyl-4-(3-methyl-5-isoxazolyl)-, iodide (1:1)
CAS No: 20242-32-4 Catalog No: AG00288C MDL No:
Product Description
Catalog Number:
AG00288C
Chemical Name:
Pyridinium, 1-ethyl-4-(3-methyl-5-isoxazolyl)-, iodide (1:1)
CAS Number:
20242-32-4
Molecular Formula:
C11H13IN2O
Molecular Weight:
316.1382
IUPAC Name:
5-(1-ethylpyridin-1-ium-4-yl)-3-methyl-1,2-oxazole;iodide
InChI:
InChI=1S/C11H13N2O.HI/c1-3-13-6-4-10(5-7-13)11-8-9(2)12-14-11;/h4-8H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
YTKIDKPLNIXPJT-UHFFFAOYSA-M
SMILES:
CC[n+]1ccc(cc1)c1onc(c1)C.[I-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.142g/mol
Monoisotopic Mass:
316.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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