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74332-96-0 | Pyrylium,2,6-dimethyl-4-(4-morpholinyl)-, iodide (1:1)
CAS No: 74332-96-0 Catalog No: AG005C41 MDL No:
Product Description
Catalog Number:
AG005C41
Chemical Name:
Pyrylium,2,6-dimethyl-4-(4-morpholinyl)-, iodide (1:1)
CAS Number:
74332-96-0
Molecular Formula:
C11H16INO2
Molecular Weight:
321.1547
IUPAC Name:
4-(2,6-dimethylpyran-4-ylidene)morpholin-4-ium;iodide
InChI:
InChI=1S/C11H16NO2.HI/c1-9-7-11(8-10(2)14-9)12-3-5-13-6-4-12;/h7-8H,3-6H2,1-2H3;1H/q+1;/p-1
InChI Key:
VZKFAGLRHMMVIY-UHFFFAOYSA-M
SMILES:
Cc1oc(C)cc(=[N+]2CCOCC2)c1.[I-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.023g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.158g/mol
Monoisotopic Mass:
321.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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