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189037-70-5 | Pyridinium, 1-(carboxymethyl)-4-(methylthio)-, chloride (1:1)
CAS No: 189037-70-5 Catalog No: AG002HR5 MDL No:
Product Description
Catalog Number:
AG002HR5
Chemical Name:
Pyridinium, 1-(carboxymethyl)-4-(methylthio)-, chloride (1:1)
CAS Number:
189037-70-5
Molecular Formula:
C8H10ClNO2S
Molecular Weight:
219.6885
IUPAC Name:
2-(4-methylsulfanylpyridin-1-ium-1-yl)acetic acid;chloride
InChI:
InChI=1S/C8H9NO2S.ClH/c1-12-7-2-4-9(5-3-7)6-8(10)11;/h2-5H,6H2,1H3;1H
InChI Key:
JBWKHBSBJBYSRI-UHFFFAOYSA-N
SMILES:
CSc1cc[n+](cc1)CC(=O)O.[Cl-]
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.683g/mol
Monoisotopic Mass:
219.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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