6-Acetamidocoumarin - ≥97% , CAS No.833-68-1

CAS: 833-68-1 Cat. No.: A358384 Summenformel: C₁₁H₉NO₃ Molekulargewicht: 203.19 Beilstein Registry Number: 172792 EG-Nummer: 635-993-5

GRADE & PURITY ≥97%

Synonyms

SR-01000473469-1 | NSC73720 | NSC-73720 | FT-0633018 | N-(2-Oxo-2H-1-benzopyran-6-yl)acetamide | N-(2-Oxo-2H-chromen-6-yl)acetamide # | Z8WJ94V3KH | Acetamide, N-(2-oxo-2H-1-benzopyran-6-yl)- | Acetamide,N-(2-oxo-2H-1-benzopyran-6-yl)- | WLN: T66 BOVJ HMV

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SR-01000473469-1 | NSC73720 | NSC-73720 | FT-0633018 | N-(2-Oxo-2H-1-benzopyran-6-yl)acetamide | N-(2-Oxo-2H-chromen-6-yl)acetamide # | Z8WJ94V3KH | Acetamide, N-(2-oxo-2H-1-benzopyran-6-yl)- | Acetamide,N-(2-oxo-2H-1-benzopyran-6-yl)- | WLN: T66 BOVJ HMV

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488181824

Kanonisches Lächeln

CC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2

IUPAC Name

N-(2-oxochromen-6-yl)acetamide

InChIKey

UCNNBCBFCASUHR-UHFFFAOYSA-N

INCHI

1S/C11H9NO3/c1-7(13)12-9-3-4-10-8(6-9)2-5-11(14)15-10/h2-6H,1H3,(H,12,13)

Isomere SMILES

CC(=O)NC1=CC2=C(C=C1)OC(=O)C=C2

RTECS

GN4375000

Molekulargewicht

203.19

Beilstein

172792

Reaxy-Rn

172792

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=172792&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans N-acetylarylamines Pyranones and derivatives Benzenoids Heteroaromatic compounds Acetamides Secondary carboxylic acid amides Lactones Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - N-acetylarylamine - N-arylamide - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Lactone - Carboxamide group - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 203.190 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 203.058 Da
• Monoisotopic Mass: 203.058 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 311.000
• 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

Häufig gestellte Fragen

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 833-68-1, the molecular formula is C11H9NO3, and the molecular weight is 203.19 g/mol. InChIKey UCNNBCBFCASUHR-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.