3-Allyloxypropionic Acid - ≥95%(GC) , CAS No.22577-15-7

CAS: 22577-15-7 Cat. No.: A151450 분자식: C₆H₁₀O₃ 분자량: 130.14 EC 번호: 672-718-8

GRADE & PURITY ≥95%(GC)

Synonyms

3-Allyloxypropionic Acid | 3-Allyloxypropionic Acid, 95% | 3-prop-2-enoxypropanoic acid | XAA57715 | 3-(allyloxy)propionic acid | AKOS005202721 | MFCD00039537 | 3-(prop-2-en-1-yloxy)propanoic acid | 3-(Allyloxy)propanoic acid # | 3-(Allyloxy)propanoicacid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

동의어

3-Allyloxypropionic Acid | 3-Allyloxypropionic Acid, 95% | 3-prop-2-enoxypropanoic acid | XAA57715 | 3-(allyloxy)propionic acid | AKOS005202721 | MFCD00039537 | 3-(prop-2-en-1-yloxy)propanoic acid | 3-(Allyloxy)propanoic acid # | 3-(Allyloxy)propanoicacid

사양 및 순도

≥95%(GC)

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 508809010
• 정식 스마일: C=CCOCCC(=O)O
• IUPAC Name: 3-prop-2-enoxypropanoic acid
• InChIKey: LBJZZFXUVYHXPH-UHFFFAOYSA-N
• INCHI: 1S/C6H10O3/c1-2-4-9-5-3-6(7)8/h2H,1,3-5H2,(H,7,8)
• 이성체 SMILES: C=CCOCCC(=O)O
• 분자량: 130.14
• Reaxy-Rn: 1752348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1752348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acids
• Alternative Parents: Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as carboxylic acids. These are compounds containing a carboxylic acid group with the formula -C(=O)OH.
• 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

• 감도: heat sensitive
• 굴절률: 1.44
• 발화점(°C): 92 °C
• 끓는점(°C): 192°C(lit.)
• 분자량: 130.139 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.500
• 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