formate - Moligand™ , CAS No.71-47-6

CAS: 71-47-6 Cat. No.: F610378 PubChem CID: 283

GRADE & PURITY Moligand™

Synonyms

Formic acid, ion(1-) | HCO2 anion | HCOO- | methanoate | formate anion | DTXSID60221219 | Formate Standard: HCO2- @ 1000 microg/mL in H2O | BDBM50155538 | Q55579895 | BDAGIHXWWSANSR-UHFFFAOYSA-M | Q27110012 | Formate ion | CHEBI:35757 | hydrogen carboxyla

Storage

Room temperature

Specifications

Synonyme

Formic acid, ion(1-) | HCO2 anion | HCOO- | methanoate | formate anion | DTXSID60221219 | Formate Standard: HCO2- @ 1000 microg/mL in H2O | BDBM50155538 | Q55579895 | BDAGIHXWWSANSR-UHFFFAOYSA-M | Q27110012 | Formate ion | CHEBI:35757 | hydrogen carboxyla

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Namen und Kennungen

• Kanonisches Lächeln: [O-]C=O
• IUPAC Name: formate
• InChIKey: BDAGIHXWWSANSR-UHFFFAOYSA-M
• INCHI: 1S/CH2O2/c2-1-3/h1H,(H,2,3)/p-1
• Isomere SMILES: C(=O)[O-]
• PubChem CID: 283

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic anion - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• External Descriptors: a small molecule

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 45.017 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 44.9977 Da
• Monoisotopic Mass: 44.9977 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 3
• Formal Charge: -1
• Complexity: 7.500
• 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: 1

Referenzen

1. Xiangdong Qing, Xinran Wu, Taoxiang Wang, Xiaohua Zhang, Zhiyuan Hu, Xiaohong Zhou, Jie Luan, Rong An.  (2025)  ATLD-UMAP: A novel strategy applied to 3D fluorescence data for the characterization and classification of Chinese dark tea.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.115017]

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 71-47-6. InChIKey BDAGIHXWWSANSR-UHFFFAOYSA-M.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.