Methyl 2-hydroxy-3-phenylpropanoate - ≥97% , CAS No.13674-16-3

CAS: 13674-16-3 Cat. No.: M587083 Fórmula: C₁₀H₁₂O₃ Peso molecular: 180.20 Número CE: 963-190-2

GRADE & PURITY ≥97%

Synonyms

Methyl 2-hydroxy-3-phenylpropanoate | 3-phenyllactic methyl ester | DS-14107 | DTXSID90929534 | Calciumdihydrogendi-L-aspartate | EN300-140949 | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | FT-0627999 | Methyl benzylglycolate | SY033769 | Benzenepropa

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Methyl 2-hydroxy-3-phenylpropanoate | 3-phenyllactic methyl ester | DS-14107 | DTXSID90929534 | Calciumdihydrogendi-L-aspartate | EN300-140949 | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | FT-0627999 | Methyl benzylglycolate | SY033769 | Benzenepropa

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

COC(=O)C(CC1=CC=CC=C1)O

IUPAC Name

methyl 2-hydroxy-3-phenylpropanoate

InChIKey

NMPPJJIBQQCOOI-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3

SMILES isoméricas

COC(=O)C(CC1=CC=CC=C1)O

Peso molecular

180.20

Reaxy-Rn

2212291

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212291&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Benzene and substituted derivatives Methyl esters Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fatty acid ester - Benzenoid - Monocyclic benzene moiety - Methyl ester - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Peso molecular: 180.200 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1