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1643136-45-1 | 2-Pyridineacetic acid, 3-methoxy-, sodium salt (1:1)
CAS No: 1643136-45-1 Catalog No: AG001US3 MDL No:MFCD30145808
Product Description
Catalog Number:
AG001US3
Chemical Name:
2-Pyridineacetic acid, 3-methoxy-, sodium salt (1:1)
CAS Number:
1643136-45-1
Molecular Formula:
C8H8NNaO3
Molecular Weight:
189.1438
MDL Number:
MFCD30145808
IUPAC Name:
sodium;2-(3-methoxypyridin-2-yl)acetate
InChI:
InChI=1S/C8H9NO3.Na/c1-12-7-3-2-4-9-6(7)5-8(10)11;/h2-4H,5H2,1H3,(H,10,11);/q;+1/p-1
InChI Key:
JOENHXWGMFUBBY-UHFFFAOYSA-M
SMILES:
COc1cccnc1CC(=O)[O-].[Na+]
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.146g/mol
Monoisotopic Mass:
189.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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