2,4-Dihydroxy-6-methoxyquinoline - ≥95% , CAS No.14300-45-9

CAS: 14300-45-9 Cat. No.: D181482 분자식: C₁₀H₉NO₃ 분자량: 191.18 EC 번호: 975-378-1

GRADE & PURITY ≥95%

Synonyms

4-hydroxy-6-methoxy-2-quinolone | Oprea1_582555 | 2-Hydroxy-6-methoxyquinolin-4(1H)-one | FT-0649609 | EN300-112627 | MFCD01463812 | J-507226 | AKOS015856528 | DS-0702 | AE-562/12222655

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

4-hydroxy-6-methoxy-2-quinolone | Oprea1_582555 | 2-Hydroxy-6-methoxyquinolin-4(1H)-one | FT-0649609 | EN300-112627 | MFCD01463812 | J-507226 | AKOS015856528 | DS-0702 | AE-562/12222655

사양 및 순도

≥95%

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

528760965

정식 스마일

COC1=CC2=C(C=C1)NC(=O)C=C2O

IUPAC Name

4-hydroxy-6-methoxy-1H-quinolin-2-one

InChIKey

HBHIHNYMVBNMOI-UHFFFAOYSA-N

INCHI

1S/C10H9NO3/c1-14-6-2-3-8-7(4-6)9(12)5-10(13)11-8/h2-5H,1H3,(H2,11,12,13)

이성체 SMILES

COC1=CC2=C(C=C1)NC(=O)C=C2O

분자량

191.18

Reaxy-Rn

1531719

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1531719&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Quinolines and derivatives
      • Subclass Quinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolones
• Alternative Parents: Hydroxyquinolines Hydroquinolones Hydroquinolines Anisoles Hydroxypyridines Alkyl aryl ethers Vinylogous amides Vinylogous acids Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyquinolone - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - Anisole - Alkyl aryl ether - Hydroxypyridine - Pyridine - Benzenoid - Vinylogous acid - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
• 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: 191.180 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 191.058 Da
• Monoisotopic Mass: 191.058 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 275.000
• 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