5-(3-Boronophenyl)pentanoic acid - ≥98% , CAS No.1072946-56-5

CAS: 1072946-56-5 Cat. No.: B179218 Summenformel: C₁₁H₁₅BO₄ Molekulargewicht: 222

QUALITÄT & REINHEIT ≥98%

Synonyms

SCHEMBL634426 | XSB94656 | MFCD11053844 | 3-(4-carboxybutyl)phenylboronic acid | 5-(3-Boronophenyl)pentanoicacid | J-001772 | DTXSID60674600 | AKOS015833671 | 1072946-56-5 | XGGDWAPJLLSYBU-UHFFFAOYSA-N | BS-23291 | 5-(3-Boronophenyl)pentanoic acid | 5-[3-

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

SCHEMBL634426 | XSB94656 | MFCD11053844 | 3-(4-carboxybutyl)phenylboronic acid | 5-(3-Boronophenyl)pentanoicacid | J-001772 | DTXSID60674600 | AKOS015833671 | 1072946-56-5 | XGGDWAPJLLSYBU-UHFFFAOYSA-N | BS-23291 | 5-(3-Boronophenyl)pentanoic acid | 5-[3-

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

B(C1=CC(=CC=C1)CCCCC(=O)O)(O)O

IUPAC Name

5-(3-boronophenyl)pentanoic acid

InChIKey

XGGDWAPJLLSYBU-UHFFFAOYSA-N

INCHI

1S/C11H15BO4/c13-11(14)7-2-1-4-9-5-3-6-10(8-9)12(15)16/h3,5-6,8,15-16H,1-2,4,7H2,(H,13,14)

Isomere SMILES

B(C1=CC(=CC=C1)CCCCC(=O)O)(O)O

Molekulargewicht

222

Reaxy-Rn

22511884

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22511884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Benzene and substituted derivatives Boronic acids Organic metalloid salts Monocarboxylic acids and derivatives Carboxylic acids Organometalloid compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Medium-chain fatty acid - Monocyclic benzene moiety - Benzenoid - Boronic acid derivative - Boronic acid - Organic metalloid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic metalloid moeity - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Not available

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: 222.050 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 222.106 Da
• Monoisotopic Mass: 222.106 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 220.000
• 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

XLogP3

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 1072946-56-5, the molecular formula is C11H15BO4, and the molecular weight is 222 g/mol. InChIKey XGGDWAPJLLSYBU-UHFFFAOYSA-N.

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.