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113742-71-5 | Pyridinium, 1-chloro-, acetate (1:1)
CAS No: 113742-71-5 Catalog No: AG0009I6 MDL No:
Product Description
Catalog Number:
AG0009I6
Chemical Name:
Pyridinium, 1-chloro-, acetate (1:1)
CAS Number:
113742-71-5
Molecular Formula:
C7H8ClNO2
Molecular Weight:
173.5969
IUPAC Name:
pyridin-1-ium;acetate;chloride
InChI:
InChI=1S/C5H5N.C2H4O2.ClH/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);1H/p-1
InChI Key:
CUEBGYSKAWLSBE-UHFFFAOYSA-M
SMILES:
Cl[n+]1ccccc1.[O-]C(=O)C
Properties
Complexity:
60.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.032g/mol
Formal Charge:
-1
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.604g/mol
Monoisotopic Mass:
174.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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