4-Acetoxyphenol - ≥98% , CAS No.3233-32-7

CAS: 3233-32-7 Cat. No.: A588726 Summenformel: C₈H₈O₃ Molekulargewicht: 152.14 EG-Nummer: 844-197-9

GRADE & PURITY ≥98%

Synonyms

(4-hydroxyphenyl) acetate | KBio2_000634 | Ketoscilium | AM803696 | HY-30267 | BSPBio_003001 | CHEBI:31128 | Spectrum4_001630 | Spectrum5_000419 | 4-Acetoxyphenol | SCHEMBL203149 | Hydroquinone, acetate | W10553 | Cardioreg | acetic acid 4-hydroxy-phenyl

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

Synonyme

(4-hydroxyphenyl) acetate | KBio2_000634 | Ketoscilium | AM803696 | HY-30267 | BSPBio_003001 | CHEBI:31128 | Spectrum4_001630 | Spectrum5_000419 | 4-Acetoxyphenol | SCHEMBL203149 | Hydroquinone, acetate | W10553 | Cardioreg | acetic acid 4-hydroxy-phenyl

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 508809346
• Kanonisches Lächeln: CC(=O)OC1=CC=C(C=C1)O
• IUPAC Name: (4-hydroxyphenyl) acetate
• InChIKey: HBMCQTHGYMTCOF-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3
• Isomere SMILES: CC(=O)OC1=CC=C(C=C1)O
• Molekulargewicht: 152.14
• Reaxy-Rn: 1940871
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1940871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
• External Descriptors: acetate ester

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

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 152.150 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 136.000
• 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