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Home > Pyridines > 1803588-08-0
1803588-08-0 | sodium 2-(3-methoxypyridin-2-yl)butanoate
CAS No: 1803588-08-0 Catalog No: AG01BFWF MDL No:MFCD28118742
Product Description
Catalog Number:
AG01BFWF
Chemical Name:
sodium 2-(3-methoxypyridin-2-yl)butanoate
CAS Number:
1803588-08-0
Molecular Formula:
C10H12NNaO3
Molecular Weight:
217.1969
MDL Number:
MFCD28118742
IUPAC Name:
sodium;2-(3-methoxypyridin-2-yl)butanoate
InChI:
InChI=1S/C10H13NO3.Na/c1-3-7(10(12)13)9-8(14-2)5-4-6-11-9;/h4-7H,3H2,1-2H3,(H,12,13);/q;+1/p-1
InChI Key:
QFMTUCCMWSXGHG-UHFFFAOYSA-M
SMILES:
CCC(c1ncccc1OC)C(=O)[O-].[Na+]
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.2g/mol
Monoisotopic Mass:
217.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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