3-hidroxipropionato de bencilo - ≥96% , CAS No.14464-10-9

CAS: 14464-10-9 Cat. No.: B181520 Peso molecular: 180.2

GRADE & PURITY ≥96%

Synonyms

AMY20497 | AKOS016011151 | Benzyl 3-hydroxypropanoate | A884776 | AS-31640 | MFCD00029657 | EINECS 238-453-3 | SCHEMBL373890 | Propanoic acid, 3-hydroxy-, phenylmethyl ester | BP-23529 | FT-0662818 | DTXSID0065773 | SY017868 | 3-hydroxy-propionic acid ben

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

AMY20497 | AKOS016011151 | Benzyl 3-hydroxypropanoate | A884776 | AS-31640 | MFCD00029657 | EINECS 238-453-3 | SCHEMBL373890 | Propanoic acid, 3-hydroxy-, phenylmethyl ester | BP-23529 | FT-0662818 | DTXSID0065773 | SY017868 | 3-hydroxy-propionic acid ben

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504755758
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755758
• Sonrisas canónicas: C1=CC=C(C=C1)COC(=O)CCO
• IUPAC Name: benzyl 3-hydroxypropanoate
• InChIKey: RDRDBYYUPACJJT-UHFFFAOYSA-N
• INCHI: 1S/C10H12O3/c11-7-6-10(12)13-8-9-4-2-1-3-5-9/h1-5,11H,6-8H2
• Isómeros SMILES: C1=CC=C(C=C1)COC(=O)CCO
• Peso molecular: 180.2
• Reaxy-Rn: 2522540
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2522540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzyloxycarbonyls
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyloxycarbonyls
• Alternative Parents: Beta hydroxy acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Beta-hydroxy acid - Hydroxy acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group.
• 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

Propiedades químicas y físicas

• Peso molecular: 180.200 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• 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: 150.000
• 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