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1643136-50-8 | 2-Pyridineacetic acid, 3-chloro-, sodium salt (1:1)
CAS No: 1643136-50-8 Catalog No: AG001US2 MDL No:
Product Description
Catalog Number:
AG001US2
Chemical Name:
2-Pyridineacetic acid, 3-chloro-, sodium salt (1:1)
CAS Number:
1643136-50-8
Molecular Formula:
C7H5ClNNaO2
Molecular Weight:
193.5629
IUPAC Name:
sodium;2-(3-chloropyridin-2-yl)acetate
InChI:
InChI=1S/C7H6ClNO2.Na/c8-5-2-1-3-9-6(5)4-7(10)11;/h1-3H,4H2,(H,10,11);/q;+1/p-1
InChI Key:
WJMMMUMXXWWIFT-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1ncccc1Cl.[Na+]
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.562g/mol
Monoisotopic Mass:
192.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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