(R)-(+)-2-(4-Hydroxyphenoxy)propionic acid - ≥98% , CAS No.94050-90-5

CAS: 94050-90-5 Cat. No.: H102466 Molecular Weight: 182.17 EC Number: 407-960-3

GRADE & PURITY ≥98%

Synonyms

(R)-(+)-2-(4-Hydroxyphenoxy)propionic acid, 98% | BCP14311 | Radianskin PW LS | (R)-(+/-)-2-(4-Hydroxyphenoxy)propionic acid | Paroxetine, (+/-)- | AKOS015856485 | D-HPPA | F11282 | d-2-(4-hydroxyphenoxy)propionic acid | (R)-2-(4-Hydroxyphenoxy)propanoic

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(R)-(+)-2-(4-Hydroxyphenoxy)propionic acid, 98% | BCP14311 | Radianskin PW LS | (R)-(+/-)-2-(4-Hydroxyphenoxy)propionic acid | Paroxetine, (+/-)- | AKOS015856485 | D-HPPA | F11282 | d-2-(4-hydroxyphenoxy)propionic acid | (R)-2-(4-Hydroxyphenoxy)propanoic

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188512
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188512
• Canonical Smiles: CC(C(=O)O)OC1=CC=C(C=C1)O
• IUPAC Name: (2R)-2-(4-hydroxyphenoxy)propanoic acid
• InChIKey: AQIHDXGKQHFBNW-ZCFIWIBFSA-N
• INCHI: 1S/C9H10O4/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6,10H,1H3,(H,11,12)/t6-/m1/s1
• Isomeric SMILES: C[C@H](C(=O)O)OC1=CC=C(C=C1)O
• WGK Germany: 1
• Molecular Weight: 182.17
• Reaxy-Rn: 2263788
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2263788&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass 2-phenoxypropionic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: 2-phenoxypropionic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: 2-phenoxypropionic acids
• Alternative Parents: Phenoxyacetic acid derivatives 4-alkoxyphenols Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 2-phenoxypropionic acid - Phenoxyacetate - 4-alkoxyphenol - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as 2-phenoxypropionic acids. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Specific Rotation[α]: 38 ° (C=0.1, MeOH)
• Melt Point(°C): 145-148°C
• Molecular Weight: 182.170 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 182.058 Da
• Monoisotopic Mass: 182.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 172.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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