2'-Hydroxy-4'-methoxypropiophenone - ≥98% , CAS No.6270-44-6

CAS: 6270-44-6 Cat. No.: H156891 분자식: C₁₀H₁₂O₃ 분자량: 180.2 Beilstein Registry Number: 8(4)1837 EC 번호: 621-243-4

등급 & 순도 ≥98%

Synonyms

2'-HYDROXY-4'-METHOXYPROPIOPHENONE 97|2-HYDROXY-4-METHOXYPROPIOPHENONE 97|1-(2-hydroxy-4-methoxyphenyl)propan-1-one|2'-Hydroxy-4'-methoxypropiophenone|1-(2-hydroxy-4-methoxyphenyl)-1-propanone

Storage

Room temperature

Shipped In

Normal

사양

동의어

2'-HYDROXY-4'-METHOXYPROPIOPHENONE 97 | 2-HYDROXY-4-METHOXYPROPIOPHENONE 97 | 1-(2-hydroxy-4-methoxyphenyl)propan-1-one | 2'-Hydroxy-4'-methoxypropiophenone | 1-(2-hydroxy-4-methoxyphenyl)-1-propanone

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504758015

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758015

정식 스마일

CCC(=O)C1=C(C=C(C=C1)OC)O

IUPAC Name

1-(2-hydroxy-4-methoxyphenyl)propan-1-one

InChIKey

MAKZPFSTXDXNJN-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-3-9(11)8-5-4-7(13-2)6-10(8)12/h4-6,12H,3H2,1-2H3

이성체 SMILES

CCC(=O)C1=C(C=C(C=C1)OC)O

WGK 독일

3

분자량

180.2

Beilstein

8(4)1837

Reaxy-Rn

1944128

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1944128&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Methoxyphenols Phenylpropanes Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Methoxyphenol - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ether - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 녹는점(°C): 56-60°C
• 분자량: 180.200 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 180.079 Da
• Monoisotopic Mass: 180.079 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 179.000
• 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

How should this product be stored?

Store at room temperature.

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 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 6270-44-6, the molecular formula is C10H12O3, and the molecular weight is 180.2 g/mol. InChIKey MAKZPFSTXDXNJN-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.