Evoxanthine - ≥95% , CAS No.477-82-7

CAS: 477-82-7 Cat. No.: E329581 분자식: C₁₆H₁₃NO₄ 분자량: 283.3

GRADE & PURITY ≥95%

Synonyms

11-Methoxy-5-methyl[1,3]dioxolo[4,5-b]acridin-10(5H)-one # | 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 11-methoxy-5-methyl- | Evoxanthin | ULBVHYNIDQSMFC-UHFFFAOYSA-N | 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one | DTXSID00324839 | 1,5-b]acridin-10(

Shipped In

Ice chest + Ice pads

Specifications

동의어

11-Methoxy-5-methyl[1,3]dioxolo[4,5-b]acridin-10(5H)-one # | 1,3-Dioxolo[4,5-b]acridin-10(5H)-one, 11-methoxy-5-methyl- | Evoxanthin | ULBVHYNIDQSMFC-UHFFFAOYSA-N | 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one | DTXSID00324839 | 1,5-b]acridin-10(

사양 및 순도

≥95%

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

• 정식 스마일: CN1C2=CC=CC=C2C(=O)C3=C(C4=C(C=C31)OCO4)OC
• IUPAC Name: 11-methoxy-5-methyl-[1,3]dioxolo[4,5-b]acridin-10-one
• InChIKey: ULBVHYNIDQSMFC-UHFFFAOYSA-N
• INCHI: 1S/C16H13NO4/c1-17-10-6-4-3-5-9(10)14(18)13-11(17)7-12-15(16(13)19-2)21-8-20-12/h3-7H,8H2,1-2H3
• 이성체 SMILES: CN1C2=CC=CC=C2C(=O)C3=C(C4=C(C=C31)OCO4)OC
• 분자량: 283.3
• Reaxy-Rn: 307321
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=307321&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Acridones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Hydroquinolones Hydroquinolines Benzodioxoles Anisoles Alkyl aryl ethers Pyridines and derivatives Vinylogous amides Vinylogous esters Heteroaromatic compounds Oxacyclic compounds Acetals Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Dihydroquinolone - Dihydroquinoline - Benzodioxole - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Vinylogous ester - Vinylogous amide - Heteroaromatic compound - Acetal - Ether - Azacycle - Oxacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
• 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

화학 및 물리적 특성

• 분자량: 283.280 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 283.084 Da
• Monoisotopic Mass: 283.084 Da
• Topological Polar Surface Area: 48.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 429.000
• 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