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Home > Pyridines > 1427216-69-0
1427216-69-0 | sodium 1-ethoxy-1,4-dioxo-4-(pyridin-3-yl)but-2-en-2-olate
CAS No: 1427216-69-0 Catalog No: AG019M4F MDL No:MFCD08691406
Product Description
Catalog Number:
AG019M4F
Chemical Name:
sodium 1-ethoxy-1,4-dioxo-4-(pyridin-3-yl)but-2-en-2-olate
CAS Number:
1427216-69-0
Molecular Formula:
C11H10NNaO4
Molecular Weight:
243.1912
MDL Number:
MFCD08691406
IUPAC Name:
sodium;1-ethoxy-1,4-dioxo-4-pyridin-3-ylbut-2-en-2-olate
InChI:
InChI=1S/C11H11NO4.Na/c1-2-16-11(15)10(14)6-9(13)8-4-3-5-12-7-8;/h3-7,14H,2H2,1H3;/q;+1/p-1
InChI Key:
CFRDUVAKIYUOKQ-UHFFFAOYSA-M
SMILES:
CCOC(=O)C(=CC(=O)c1cccnc1)[O-].[Na+]
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.194g/mol
Monoisotopic Mass:
243.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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