3,3,3-Triphenylpropionic Acid - ≥98%(HPLC)(T) , CAS No.900-91-4

CAS: 900-91-4 Cat. No.: T162074 Formula: C₂₁H₁₈O₂ Peso molecolare: 302.37 Beilstein Registry Number: 9716 Numero EC: 624-655-2 PubChem CID: 136696

GRADE & PURITY ≥98%(HPLC)(T)

Synonyms

DTXSID90237989 | 3,3,3-triphenyl propanoic acid | SY048719 | A843442 | SR-01000393640-1 | T1558 | 3,3,3-Triphenylpropanoic acid | 2-Triphenylmethyl acetic acid | EU-0000699 | SR-01000393640 | Tritylacetic acid | AKOS001572680 | 2-tritylacetic acid | MFCD0

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID90237989 | 3,3,3-triphenyl propanoic acid | SY048719 | A843442 | SR-01000393640-1 | T1558 | 3,3,3-Triphenylpropanoic acid | 2-Triphenylmethyl acetic acid | EU-0000699 | SR-01000393640 | Tritylacetic acid | AKOS001572680 | 2-tritylacetic acid | MFCD0

Specifiche e purezza

≥98%(HPLC)(T)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(HPLC)(T)

Nomi e identificatori

Pubchem Sid

488187898

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187898

Sorrisi canonici

C1=CC=C(C=C1)C(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

IUPAC Name

3,3,3-triphenylpropanoic acid

InChIKey

XMSJLUKCGWQAHO-UHFFFAOYSA-N

INCHI

1S/C21H18O2/c22-20(23)16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2,(H,22,23)

Isomeri SMILES

C1=CC=C(C=C1)C(CC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3

WGK Germania

3

PubChem CID

136696

Peso molecolare

302.37

Beilstein

9716

Reaxy-Rn

2057448

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Triphenyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Triphenyl compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triphenyl compounds
• Alternative Parents: Phenylpropanoic acids Benzene and substituted derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Triphenyl compound - 3-phenylpropanoic-acid - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as triphenyl compounds. These are aromatic compounds containing a triphenyl moiety.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 181 °C
• Peso molecolare: 302.400 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 302.131 Da
• Monoisotopic Mass: 302.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 326.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 900-91-4, the molecular formula is C21H18O2, and the molecular weight is 302.37 g/mol. InChIKey XMSJLUKCGWQAHO-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.