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Home > Pyridines > 1803586-47-1
1803586-47-1 | sodium 2-(3-methoxypyridin-2-yl)-4-methylpentanoate
CAS No: 1803586-47-1 Catalog No: AG01BG2B MDL No:MFCD28118811
Product Description
Catalog Number:
AG01BG2B
Chemical Name:
sodium 2-(3-methoxypyridin-2-yl)-4-methylpentanoate
CAS Number:
1803586-47-1
Molecular Formula:
C12H16NNaO3
Molecular Weight:
245.2501
MDL Number:
MFCD28118811
IUPAC Name:
sodium;2-(3-methoxypyridin-2-yl)-4-methylpentanoate
InChI:
InChI=1S/C12H17NO3.Na/c1-8(2)7-9(12(14)15)11-10(16-3)5-4-6-13-11;/h4-6,8-9H,7H2,1-3H3,(H,14,15);/q;+1/p-1
InChI Key:
RQVOALUFDJBFRQ-UHFFFAOYSA-M
SMILES:
COc1cccnc1C(C(=O)[O-])CC(C)C.[Na+]
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.103g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.254g/mol
Monoisotopic Mass:
245.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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