4-Ethoxyphenylacetic acid - ≥98% , CAS No.4919-33-9

CAS: 4919-33-9 Cat. No.: E137247 분자식: C₁₀H₁₂O₃ 분자량: 180.2 Beilstein Registry Number: 1103143 EC 번호: 225-545-3

GRADE & PURITY ≥98%

Synonyms

2-(4-ethoxyphenyl)acetate;4-Ethoxyphenylacetic Acid | 4-Ethoxyphenylacetic acid | A827671 | FT-0618390 | SR-01000388885-1 | J-523916 | Pinstatic acid | alpha-Acetoxypropionic acid | Benzeneacetic acid, 4-ethoxy- | K51199TJ7S | 2-(4-Ethoxyphenyl)ethanoic A

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

2-(4-ethoxyphenyl)acetate;4-Ethoxyphenylacetic Acid | 4-Ethoxyphenylacetic acid | A827671 | FT-0618390 | SR-01000388885-1 | J-523916 | Pinstatic acid | alpha-Acetoxypropionic acid | Benzeneacetic acid, 4-ethoxy- | K51199TJ7S | 2-(4-Ethoxyphenyl)ethanoic A

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

504755305

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755305

정식 스마일

CCOC1=CC=C(C=C1)CC(=O)O

IUPAC Name

2-(4-ethoxyphenyl)acetic acid

InChIKey

ZVVWZNFSMIFGEP-UHFFFAOYSA-N

INCHI

1S/C10H12O3/c1-2-13-9-5-3-8(4-6-9)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)

이성체 SMILES

CCOC1=CC=C(C=C1)CC(=O)O

분자량

180.2

Beilstein

1103143

Reaxy-Rn

1103143

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1103143&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Alkyl aryl ethers Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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): 87-91℃
• 분자량: 180.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• 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: 160.000
• 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