Sodium nuo kasu

C₉H₈NNaO₃CAS 418541-41-0201.16 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ketone

Properties

Molecular formula: C₉H₈NNaO₃
Molar mass: 201.16 g/mol
Exact mass: 201.0402 Da
logP: -3.10Crippen estimate
Polar surface area: 73.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Double bonds: ZE/Z, in SMILES order

Hazards

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

Identifiers

CAS number

418541-41-0

SMILES

C/C(=C/C(=O)[O-])/C(=O)C1=CC=CN1.[Na+]

InChIKey

PAWITTAEJDSROT-YSMBQZINSA-M

InChI

InChI=1S/C9H9NO3.Na/c1-6(5-8(11)12)9(13)7-3-2-4-10-7;/h2-5,10H,1H3,(H,11,12);/q;+1/p-1/b6-5-;

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Names and synonyms

1 names

(Z)-3-Methyl-4-oxo-4-(1H-pyrrol-2-yl)but-2-enoic acid sodium

Work with Sodium nuo kasu

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Acetylpyrrole1072-83-941 % similar Methyl 2-pyrrolecarboxylate1193-62-039 % similar 2-(Trichloroacetyl)pyrrole35302-72-836 % similar 1H-Pyrrole-2-carboxamide4551-72-835 % similar Pyrrole-2-carboxylic acid634-97-935 % similar Sodium cinnamate538-42-135 % similar Menadione58-27-535 % similar Ethyl pyrrole-2-carboxylate2199-43-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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