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

CAS: 141-95-7 Cat. No.: S104172 Molecular Weight: 148.03 Beilstein Registry Number: 3917013 EC Number: 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

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

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]
• WGK Germany: 3
• RTECS: OO1750000
• PubChem CID: 8865
• Molecular Weight: 148.03
• Beilstein: 3917013
• Reaxy-Rn: 3917013

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA5A Tclin Carbonic anhydrase VA (1168 Activities)

Discover Target: CA5A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA9 Tclin Carbonic anhydrase IX (8255 Activities)

Discover Target: CA9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Carbonic anhydrase (69 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Hygroscopic
• Molecular Weight: 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

References

1. Minxian Han, Lufan Tang, Yidong Xiao, Minzhang Li, Hedong Chen, Prayoon Songsiriritthigul, Than Zaw Oo, Mono Zaw, Nyein Wint Lwin, Su Htike Aung, R. Karthick, Fuming Chen.  (2023)  Enhanced continuous desalination performance with iron-complexed malonate redox couples.  Environmental Science-Water Research & Technology,  9  (9): (2368-2377).  [PMID:] [10.1039/D3EW00400G]

2. Shuang Geng, Ziyao Yu, Run Zhang, Bingyuan Fan, Qian Wang, Jiejie Guang, Shan Wang, Xiang Zhang, Chengchen Hou, Chunying Wang, Kejie Zhang, Wei Meng.  (2023)  Transformation of silver nanospheres into triangular nanoplates through a photoinduced process.  Journal of Saudi Chemical Society,      [PMID:] [10.1016/j.jscs.2023.101610]

3. Chen Yao, Wang Xiang, Zhang Bin, Ma Wei, Chen Weiping.  (2021)  Facile synthesis of silver malonate conductive MOD ink for screen printing.  JOURNAL OF MATERIALS SCIENCE-MATERIALS IN ELECTRONICS,  32  (17): (22119-22128).  [PMID:] [10.1007/s10854-021-06681-0]