Benzyl 3-hydroxypropionate - ≥96% , CAS No.14464-10-9

CAS: 14464-10-9 Cat. No.: B181520 Formule: C₁₀H₁₂O₃ Poids moléculaire: 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

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

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

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 504755758
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755758
• Sourires canoniques: 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
• Isomères SMILES: C1=CC=C(C=C1)COC(=O)CCO
• Poids moléculaire: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzyloxycarbonyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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