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20242-28-8 | Pyridinium, 4-(3-ethyl-5-isoxazolyl)-1-methyl-, chloride (1:1)
CAS No: 20242-28-8 Catalog No: AG00288F MDL No:
Product Description
Catalog Number:
AG00288F
Chemical Name:
Pyridinium, 4-(3-ethyl-5-isoxazolyl)-1-methyl-, chloride (1:1)
CAS Number:
20242-28-8
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
IUPAC Name:
3-ethyl-5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazole;chloride
InChI:
InChI=1S/C11H13N2O.ClH/c1-3-10-8-11(14-12-10)9-4-6-13(2)7-5-9;/h4-8H,3H2,1-2H3;1H/q+1;/p-1
InChI Key:
KUKIDIVHMGASSW-UHFFFAOYSA-M
SMILES:
CCc1noc(c1)c1cc[n+](cc1)C.[Cl-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.688g/mol
Monoisotopic Mass:
224.072g/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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