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122183-32-8 | Pyridinium, 1-[[(dimethylamino)carbonyl]oxy]-4-methoxy-, chloride (1:1)
CAS No: 122183-32-8 Catalog No: AG0016WU MDL No:
Product Description
Catalog Number:
AG0016WU
Chemical Name:
Pyridinium, 1-[[(dimethylamino)carbonyl]oxy]-4-methoxy-, chloride (1:1)
CAS Number:
122183-32-8
Molecular Formula:
C9H13ClN2O3
Molecular Weight:
232.6641
IUPAC Name:
(4-methoxypyridin-1-ium-1-yl) N,N-dimethylcarbamate;chloride
InChI:
InChI=1S/C9H13N2O3.ClH/c1-10(2)9(12)14-11-6-4-8(13-3)5-7-11;/h4-7H,1-3H3;1H/q+1;/p-1
InChI Key:
XNEUDMKYLXRUJS-UHFFFAOYSA-M
SMILES:
COc1cc[n+](cc1)OC(=O)N(C)C.[Cl-]
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.664g/mol
Monoisotopic Mass:
232.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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