8-Hydroxy-7-methoxycoumarin - ≥97% , CAS No.19492-03-6

CAS: 19492-03-6 Cat. No.: H344880 분자식: C₁₀H₈O₄ 분자량: 192.17 EC 번호: 681-517-4

GRADE & PURITY ≥97%

Synonyms

Daphnetin-7-methyl ether | 2H-1-Benzopyran-2-one, 8-hydroxy-7-methoxy- | 8-Hydroxy-7-methoxycoumarin | SCHEMBL27834 | 7-METHOXY-8-OXIDANYL-CHROMEN-2-ONE | Daphnetin-7-methylether | CHEBI:173919 | AS-62967 | 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one, 9CI |

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

Daphnetin-7-methyl ether | 2H-1-Benzopyran-2-one, 8-hydroxy-7-methoxy- | 8-Hydroxy-7-methoxycoumarin | SCHEMBL27834 | 7-METHOXY-8-OXIDANYL-CHROMEN-2-ONE | Daphnetin-7-methylether | CHEBI:173919 | AS-62967 | 8-Hydroxy-7-methoxy-2H-1-benzopyran-2-one, 9CI |

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

• 정식 스마일: COC1=C(C2=C(C=C1)C=CC(=O)O2)O
• IUPAC Name: 8-hydroxy-7-methoxychromen-2-one
• InChIKey: KIGCGZUAVODHMD-UHFFFAOYSA-N
• INCHI: 1S/C10H8O4/c1-13-7-4-2-6-3-5-8(11)14-10(6)9(7)12/h2-5,12H,1H3
• 이성체 SMILES: COC1=C(C2=C(C=C1)C=CC(=O)O2)O
• 분자량: 192.17
• Reaxy-Rn: 168393
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=168393&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Coumarins and derivatives
      • Subclass Hydroxycoumarins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxycoumarins
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hydroxycoumarin - Benzopyran - 1-benzopyran - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the coumarin skeleton.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 192.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.042 Da
• Monoisotopic Mass: 192.042 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 261.000
• 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 19492-03-6, the molecular formula is C10H8O4, and the molecular weight is 192.17 g/mol. InChIKey KIGCGZUAVODHMD-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.