methyl 6-hydroxyquinoline-2-carboxylate - ≥97% , CAS No.429687-75-2

CAS: 429687-75-2 Cat. No.: M633883 분자식: C₁₁H₉NO₃ 분자량: 203.2 PubChem CID: 11298635

GRADE & PURITY ≥97%

Synonyms

SB20773 | JLJVETNNBYVBKA-UHFFFAOYSA-N | Methyl6-hydroxyquinoline-2-carboxylate | Methyl 6-hydroxyquinoline-2-carboxylate | SCHEMBL4163337 | SY322481 | EN300-7404997 | Methyl 6-hydroxylquinoline-2-carboxylate | P12374 | PB27188 | AKOS025396220 | AS-51316 |

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

SB20773 | JLJVETNNBYVBKA-UHFFFAOYSA-N | Methyl6-hydroxyquinoline-2-carboxylate | Methyl 6-hydroxyquinoline-2-carboxylate | SCHEMBL4163337 | SY322481 | EN300-7404997 | Methyl 6-hydroxylquinoline-2-carboxylate | P12374 | PB27188 | AKOS025396220 | AS-51316 |

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: COC(=O)C1=NC2=C(C=C1)C=C(C=C2)O
• IUPAC Name: methyl 6-hydroxyquinoline-2-carboxylate
• InChIKey: JLJVETNNBYVBKA-UHFFFAOYSA-N
• INCHI: 1S/C11H9NO3/c1-15-11(14)10-4-2-7-6-8(13)3-5-9(7)12-10/h2-6,13H,1H3
• 이성체 SMILES: COC(=O)C1=NC2=C(C=C1)C=C(C=C2)O
• 대체 CAS: 429687-75-2
• PubChem CID: 11298635
• 분자량: 203.2

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Quinolines and derivatives
• Subclass: Hydroxyquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyquinolines
• Alternative Parents: Pyridinecarboxylic acids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxyquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyridine - Benzenoid - Heteroaromatic compound - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxyquinolines. These are compounds containing a quinoline moiety bearing a hydroxyl 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

화학 및 물리적 특성

• 분자량: 203.190 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 203.058 Da
• Monoisotopic Mass: 203.058 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 244.000
• 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

자주 묻는 질문

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 429687-75-2, the molecular formula is C11H9NO3, and the molecular weight is 203.2 g/mol. InChIKey JLJVETNNBYVBKA-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.