3′-Hydroxy-4′-methoxyacetophenone - ≥97% , CAS No.6100-74-9

CAS: 6100-74-9 Cat. No.: H139073 분자식: C₉H₁₀O₃ 분자량: 166.17 EC 번호: 626-691-4

등급 & 순도 ≥97%

Synonyms

NSC30050 | NSC-30050 | 1-(3-Hydroxy-4-methoxyphenyl)ethanone # | MFCD00182975 | SY023193 | 1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one (Acetoisovanillone) | STL573297 | 3'-Hydroxy-4'-methoxyacetophenone | 3-Hydroxy-4-methoxyacetophenone | 286G943O33 | 3'-Hyd

Storage

Room temperature

Shipped In

Normal

사양

동의어

NSC30050 | NSC-30050 | 1-(3-Hydroxy-4-methoxyphenyl)ethanone # | MFCD00182975 | SY023193 | 1-(3-Hydroxy-4-methoxyphenyl)ethan-1-one (Acetoisovanillone) | STL573297 | 3'-Hydroxy-4'-methoxyacetophenone | 3-Hydroxy-4-methoxyacetophenone | 286G943O33 | 3'-Hyd

사양 및 순도

≥97%

보관 조건

Room temperature

배송

Normal

순수함

≥97%

이름과 식별자

Pubchem Sid

488186933

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186933

정식 스마일

CC(=O)C1=CC(=C(C=C1)OC)O

IUPAC Name

1-(3-hydroxy-4-methoxyphenyl)ethanone

InChIKey

YLTGFGDODHXMFB-UHFFFAOYSA-N

INCHI

1S/C9H10O3/c1-6(10)7-3-4-9(12-2)8(11)5-7/h3-5,11H,1-2H3

이성체 SMILES

CC(=O)C1=CC(=C(C=C1)OC)O

WGK 독일

3

분자량

166.17

Reaxy-Rn

2043981

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043981&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 Acetophenones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Methoxyphenol - Acetophenone - Phenoxy compound - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - 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: phenols - methoxybenzene

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): 88-92°C
• 분자량: 166.170 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 167.000
• 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 6100-74-9, the molecular formula is C9H10O3, and the molecular weight is 166.17 g/mol. InChIKey YLTGFGDODHXMFB-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.