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20242-29-9 | Pyridinium, 1,3-dimethyl-4-(3-methyl-5-isoxazolyl)-, chloride (1:1)
CAS No: 20242-29-9 Catalog No: AG00288E MDL No:
Product Description
Catalog Number:
AG00288E
Chemical Name:
Pyridinium, 1,3-dimethyl-4-(3-methyl-5-isoxazolyl)-, chloride (1:1)
CAS Number:
20242-29-9
Molecular Formula:
C11H13ClN2O
Molecular Weight:
224.6867
IUPAC Name:
5-(1,3-dimethylpyridin-1-ium-4-yl)-3-methyl-1,2-oxazole;chloride
InChI:
InChI=1S/C11H13N2O.ClH/c1-8-7-13(3)5-4-10(8)11-6-9(2)12-14-11;/h4-7H,1-3H3;1H/q+1;/p-1
InChI Key:
UXZUURWFPJSDNN-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(c(c1)C)c1onc(c1)C.[Cl-]
Properties
Complexity:
198
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:
1
Topological Polar Surface Area:
29.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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