CAS
914637-99-3 Purity
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914637-99-3 Purity
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3-Cyano-6-hydroxypyridone sodium salt
CAS
91467-46-8
Catalog Number
ACM91467468
Category
Other Products
Molecular Weight
159.10
Molecular Formula
C6H4N2NaO2
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Specification
Synonyms
1,2-Dihydro-6-hydroxy-2-oxo-
IUPAC Name
2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile;sodium
Canonical SMILES
C1=CC(=O)NC(=C1C#N)O.[Na]
InChI Key
OGCUILIKTBJKRD-UHFFFAOYSA-N
Exact Mass
159.01700
H-Bond Acceptor
3
H-Bond Donor
2
What is the molecular formula of 3-Cyano-6-hydroxypyridone sodium salt?
The molecular formula of 3-Cyano-6-hydroxypyridone sodium salt is C6H3N2NaO2.
What is the molecular weight of 3-Cyano-6-hydroxypyridone sodium salt?
The molecular weight of 3-Cyano-6-hydroxypyridone sodium salt is 158.09 g/mol.
What is the IUPAC name of 3-Cyano-6-hydroxypyridone sodium salt?
The IUPAC name of 3-Cyano-6-hydroxypyridone sodium salt is sodium;5-cyano-6-oxo-1H-pyridin-2-olate.
What is the InChI of 3-Cyano-6-hydroxypyridone sodium salt?
The InChI of 3-Cyano-6-hydroxypyridone sodium salt is InChI=1S/C6H4N2O2.Na/c7-3-4-1-2-5(9)8-6(4)10;/h1-2H,(H2,8,9,10);/q;+1/p-1.
What is the InChIKey of 3-Cyano-6-hydroxypyridone sodium salt?
The InChIKey of 3-Cyano-6-hydroxypyridone sodium salt is AQWWPGVNDQWIDY-UHFFFAOYSA-M.
What is the canonical SMILES of 3-Cyano-6-hydroxypyridone sodium salt?
The canonical SMILES of 3-Cyano-6-hydroxypyridone sodium salt is C1=C(C(=O)NC(=C1)[O-])C#N.[Na+].
What are the hydrogen bond donor and acceptor counts of 3-Cyano-6-hydroxypyridone sodium salt?
The hydrogen bond donor count of 3-Cyano-6-hydroxypyridone sodium salt is 1, and the hydrogen bond acceptor count is 3.
How many rotatable bonds are present in 3-Cyano-6-hydroxypyridone sodium salt?
There are no rotatable bonds in 3-Cyano-6-hydroxypyridone sodium salt.
What is the topological polar surface area of 3-Cyano-6-hydroxypyridone sodium salt?
The topological polar surface area of 3-Cyano-6-hydroxypyridone sodium salt is 76?2.
How many heavy atoms are present in 3-Cyano-6-hydroxypyridone sodium salt?
There are 11 heavy atoms in 3-Cyano-6-hydroxypyridone sodium salt.
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CAS
914654-92-5 Purity
96%
914654-92-5 Purity
96%
