2-Propenoic acid, 3-cyano-2-hydroxy-, ethyl ester, sodium salt (1:1), (2E)-

C6H6NNaO3CAS 627076-29-3163.11 g/mol

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OOO−NNa+
AlkeneEsterNitrile

Properties

Molecular formula
C6H6NNaO3
Molar mass
163.11 g/mol
Exact mass
163.0245 Da
logP
0.13Crippen estimate
Polar surface area
70.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
627076-29-3
SMILES
CCOC(=O)C([O-])=CC#N.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

1 names
  • 2-Propenoic acid, 3-cyano-2-hydroxy-, ethyl ester, sodium salt, (2E)-

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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