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54212-30-5 | 3-Carbamoyl-1-methoxypyridin-1-ium perchlorate
CAS No: 54212-30-5 Catalog No: AG01EWEK MDL No:
Product Description
Catalog Number:
AG01EWEK
Chemical Name:
3-Carbamoyl-1-methoxypyridin-1-ium perchlorate
CAS Number:
54212-30-5
Molecular Formula:
C7H9ClN2O6
Molecular Weight:
252.6092
IUPAC Name:
1-methoxypyridin-1-ium-3-carboxamide;perchlorate
InChI:
InChI=1S/C7H8N2O2.ClHO4/c1-11-9-4-2-3-6(5-9)7(8)10;2-1(3,4)5/h2-5H,1H3,(H-,8,10);(H,2,3,4,5)
InChI Key:
IGBAQDWKQYCMPU-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CO[n+]1cccc(c1)C(=O)N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.015g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.607g/mol
Monoisotopic Mass:
252.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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