CAS
94159-47-4 Purity
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94159-47-4 Purity
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Sodium 2-cyano-5-ethoxybenzenesulfonate
CAS
94159-55-4
Catalog Number
ACM94159554
Category
Other Products
Molecular Weight
249.218890 [g/mol]
Molecular Formula
C9H9NO4SNa
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Specification
Synonyms
EINECS 303-236-5, Sodium 2-cyano-5-ethoxybenzenesulphonate, CID3023850, 94159-55-4
IUPAC Name
sodium 2-cyano-5-ethoxybenzenesulfonate
SMILES
CCOC1=CC(=C(C=C1)C#N)S(=O)(=O)[O-].[Na+]
InChI Key
ROVCHLIPMLVMLL-UHFFFAOYSA-M
EC Number
303-236-5
Exact Mass
249.00700
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of Sodium 2-cyano-5-ethoxybenzenesulfonate?
The molecular formula is C9H8NNaO4S.
What is the molecular weight of Sodium 2-cyano-5-ethoxybenzenesulfonate?
The molecular weight is 249.22 g/mol.
What are some synonyms for Sodium 2-cyano-5-ethoxybenzenesulfonate?
Some synonyms include Sodium 2-cyano-5-ethoxybenzenesulphonate, XFD11XH3HP, and EINECS 303-236-5.
When was Sodium 2-cyano-5-ethoxybenzenesulfonate created and modified in PubChem?
It was created on 2008-02-05 and last modified on 2023-12-30.
What is the IUPAC Name of Sodium 2-cyano-5-ethoxybenzenesulfonate?
The IUPAC name is sodium;2-cyano-5-ethoxybenzenesulfonate.
What is the InChIKey of Sodium 2-cyano-5-ethoxybenzenesulfonate?
The InChIKey is ROVCHLIPMLVMLL-UHFFFAOYSA-M.
What is the Canonical SMILES representation of Sodium 2-cyano-5-ethoxybenzenesulfonate?
The Canonical SMILES is CCOC1=CC(=C(C=C1)C#N)S(=O)(=O)[O-].[Na+].
How many hydrogen bond acceptor counts does Sodium 2-cyano-5-ethoxybenzenesulfonate have?
It has 5 hydrogen bond acceptor counts.
What is the topological polar surface area of Sodium 2-cyano-5-ethoxybenzenesulfonate?
The topological polar surface area is 98.6 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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