Sodium malonate dibasic - ≥99% , CAS No.141-95-7

CAS: 141-95-7 Cat. No.: S104172 Summenformel: CH₂(COONa)₂ Molekulargewicht: 148.03 Beilstein Registry Number: 3917013 EG-Nummer: 205-514-0 PubChem CID: 8865

GRADE & PURITY ≥99%

Synonyms

EINECS 205-514-0 | PRWXGRGLHYDWPS-UHFFFAOYSA-L | Propanedioic acid, sodium salt (1:2) | CHEBI:62983 | Sodium malonate dibasic monohydrate, >=98% (non-aqueous titration) | Sodium malonate dibasic monohydrate, BioXtra | Sodium malonate dibasic, 97.0% | Malo

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

EINECS 205-514-0 | PRWXGRGLHYDWPS-UHFFFAOYSA-L | Propanedioic acid, sodium salt (1:2) | CHEBI:62983 | Sodium malonate dibasic monohydrate, >=98% (non-aqueous titration) | Sodium malonate dibasic monohydrate, BioXtra | Sodium malonate dibasic, 97.0% | Malo

Spezifikationen & Reinheit

≥99%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508811657

Kanonisches Lächeln

C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

IUPAC Name

disodium;propanedioate

InChIKey

PRWXGRGLHYDWPS-UHFFFAOYSA-L

INCHI

1S/C3H4O4.2Na/c4-2(5)1-3(6)7;;/h1H2,(H,4,5)(H,6,7);;/q;2*+1/p-2

Isomere SMILES

C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

WGK Deutschland

3

RTECS

OO1750000

PubChem CID

8865

Molekulargewicht

148.03

Beilstein

3917013

Reaxy-Rn

3917013

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: 1,3-dicarbonyl compounds Carboxylic acid salts Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: organic sodium salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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CA5A Tclin Carbonic anhydrase VA (1168 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

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Carbonic anhydrase (69 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Hygroscopic
• Molekulargewicht: 148.020 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 147.975 Da
• Monoisotopic Mass: 147.975 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 72.100
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3