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24027-03-0 | 2-Cyano-3-hydroxy-1-methylpyridin-1-ium chloride
CAS No: 24027-03-0 Catalog No: AG01EUL7 MDL No:
Product Description
Catalog Number:
AG01EUL7
Chemical Name:
2-Cyano-3-hydroxy-1-methylpyridin-1-ium chloride
CAS Number:
24027-03-0
Molecular Formula:
C7H7ClN2O
Molecular Weight:
170.5963
IUPAC Name:
3-hydroxy-1-methylpyridin-1-ium-2-carbonitrile;chloride
InChI:
InChI=1S/C7H6N2O.ClH/c1-9-4-2-3-7(10)6(9)5-8;/h2-4H,1H3;1H
InChI Key:
VIFZSNPKQODONK-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)ccc[n+]1C.[Cl-]
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.596g/mol
Monoisotopic Mass:
170.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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