3'-Hydroxypropiophenone - ≥97% , CAS No.13103-80-5

CAS: 13103-80-5 Cat. No.: H190518 Formule: C₉H₁₀O₂ Poids moléculaire: 150.17 Numéro CE: 236-027-1

QUALITÉ & PURETÉ ≥97%

Synonyms

3'-Hydroxypropiophenone|1-(3-hydroxyphenyl)propan-1-one|13103-80-5|1-Propanone, 1-(3-hydroxyphenyl)-|1-(3-Hydroxyphenyl)-1-propanone|3/'-Hydroxypropiophenone|A3VUA549F9|MFCD03428514|NSC-63366|(3-hydroxyphenyl)propan-1-one|NSC63366|EINECS 236-027-1|1-(3-hy

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

3'-Hydroxypropiophenone | 1-(3-hydroxyphenyl)propan-1-one | 13103-80-5 | 1-Propanone, 1-(3-hydroxyphenyl)- | 1-(3-Hydroxyphenyl)-1-propanone | 3/'-Hydroxypropiophenone | A3VUA549F9 | MFCD03428514 | NSC-63366 | (3-hydroxyphenyl)propan-1-one | NSC63366 | EINECS 236-027-1 | 1-(3-hy

Spécifications et pureté

≥97%

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

≥97%

Noms et identifiants

Pubchem Sid

504755654

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755654

Sourires canoniques

CCC(=O)C1=CC(=CC=C1)O

IUPAC Name

1-(3-hydroxyphenyl)propan-1-one

InChIKey

YXOGDBMOFMQLEU-UHFFFAOYSA-N

INCHI

1S/C9H10O2/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6,10H,2H2,1H3

Isomères SMILES

CCC(=O)C1=CC(=CC=C1)O

Poids moléculaire

150.17

Reaxy-Rn

2082618

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2082618&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpropanes Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpropane - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 150.170 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.068 Da
• Monoisotopic Mass: 150.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 142.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 13103-80-5, the molecular formula is C9H10O2, and the molecular weight is 150.17 g/mol. InChIKey YXOGDBMOFMQLEU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.