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1416351-80-8 | 2-Pyridineacetic acid, 6-methyl-, sodium salt (1:1)
CAS No: 1416351-80-8 Catalog No: AG001GQJ MDL No:MFCD22421587
Product Description
Catalog Number:
AG001GQJ
Chemical Name:
2-Pyridineacetic acid, 6-methyl-, sodium salt (1:1)
CAS Number:
1416351-80-8
Molecular Formula:
C8H8NNaO2
Molecular Weight:
173.1444
MDL Number:
MFCD22421587
IUPAC Name:
sodium;2-(6-methylpyridin-2-yl)acetate
InChI:
InChI=1S/C8H9NO2.Na/c1-6-3-2-4-7(9-6)5-8(10)11;/h2-4H,5H2,1H3,(H,10,11);/q;+1/p-1
InChI Key:
ODMBIOQJFCXTLC-UHFFFAOYSA-M
SMILES:
[O-]C(=O)Cc1cccc(n1)C.[Na+]
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
173.147g/mol
Monoisotopic Mass:
173.045g/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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