2-Methoxynicotinic Acid - ≥98% , CAS No.16498-81-0

CAS: 16498-81-0 Cat. No.: M157828 분자식: C₇H₇NO₃ 분자량: 153.14 Beilstein Registry Number: 22(5)5,102 EC 번호: 605-381-2

등급 & 순도 ≥98%

Synonyms

2-Methoxy-3-pyridinecarboxylic Acid | J-509868 | Oprea1_094666 | 2-Methoxypyridine-3-carboxylic acid | Z71179597 | SY005581 | SCHEMBL18201 | 2-Methoxynicotinic acid | 2-Methoxy-nicotinic acid | Maybridge1_004722 | 2-Methoxypyridine-3-carboxylic acid, 97%

Storage

Room temperature

Shipped In

Normal

사양

동의어

2-Methoxy-3-pyridinecarboxylic Acid | J-509868 | Oprea1_094666 | 2-Methoxypyridine-3-carboxylic acid | Z71179597 | SY005581 | SCHEMBL18201 | 2-Methoxynicotinic acid | 2-Methoxy-nicotinic acid | Maybridge1_004722 | 2-Methoxypyridine-3-carboxylic acid, 97%

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488191203

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488191203

정식 스마일

COC1=C(C=CC=N1)C(=O)O

IUPAC Name

2-methoxypyridine-3-carboxylic acid

InChIKey

FTEZJSXSARPZHJ-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c1-11-6-5(7(9)10)3-2-4-8-6/h2-4H,1H3,(H,9,10)

이성체 SMILES

COC1=C(C=CC=N1)C(=O)O

WGK 독일

3

분자량

153.14

Beilstein

22(5)5,102

Reaxy-Rn

473060

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=473060&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxylic acids
• Alternative Parents: Alkyl aryl ethers Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine carboxylic acid - Alkyl aryl ether - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid 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

• 녹는점(°C): 150 °C
• 분자량: 153.140 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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 ≥98% 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 16498-81-0, the molecular formula is C7H7NO3, and the molecular weight is 153.14 g/mol. InChIKey FTEZJSXSARPZHJ-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.