3-Acetoxy-2-phenylpropanoic acid - ≥98% , CAS No.14510-36-2

CAS: 14510-36-2 Cat. No.: A181532 Formula: C₁₁H₁₂O₄ Peso molecolare: 208.21

GRADE & PURITY ≥98%

Synonyms

B8ZB7U6HFW | J-008056 | SY008685 | DS-17231 | SCHEMBL8460020 | 3-Acetoxy-2-phenylpropanoicacid | 3-acetyloxy-2-phenylpropanoic acid | Tropic acid, acetate | 2-Phenyl-beta-acetoxypropanoic acid | DTXSID20448420 | A884671 | Benzeneacetic acid, alpha-[(acety

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

B8ZB7U6HFW | J-008056 | SY008685 | DS-17231 | SCHEMBL8460020 | 3-Acetoxy-2-phenylpropanoicacid | 3-acetyloxy-2-phenylpropanoic acid | Tropic acid, acetate | 2-Phenyl-beta-acetoxypropanoic acid | DTXSID20448420 | A884671 | Benzeneacetic acid, alpha-[(acety

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

508808815

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508808815

Sorrisi canonici

CC(=O)OCC(C1=CC=CC=C1)C(=O)O

IUPAC Name

3-acetyloxy-2-phenylpropanoic acid

InChIKey

OXGQBORIYFGJPM-UHFFFAOYSA-N

INCHI

1S/C11H12O4/c1-8(12)15-7-10(11(13)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,13,14)

Isomeri SMILES

CC(=O)OCC(C1=CC=CC=C1)C(=O)O

Peso molecolare

208.21

Reaxy-Rn

2580960

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2580960&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid ester - 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 benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

• Peso molecolare: 208.210 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.074 Da
• Monoisotopic Mass: 208.074 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 231.000
• 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