2-Methoxypropane-1,3-diol - ≥97% , CAS No.761-06-8

CAS: 761-06-8 Cat. No.: M1360131 분자식: C₄H₁₀O₃ 분자량: 106.12 EC 번호: 822-386-7 PubChem CID: 11170931

GRADE & PURITY ≥97%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Specifications

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Desiccated

배송

Wet ice

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순수함

≥97%

이름과 식별자

• 정식 스마일: COC(CO)CO
• IUPAC Name: 2-methoxypropane-1,3-diol
• InChIKey: RKOGJKGQMPZCGG-UHFFFAOYSA-N
• INCHI: 1S/C4H10O3/c1-7-4(2-5)3-6/h4-6H,2-3H2,1H3
• 이성체 SMILES: COC(CO)CO
• PubChem CID: 11170931
• 분자량: 106.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Glycerolipids
      • Subclass Glycerol ethers

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Glycerolipids
• Subclass: Glycerol ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Glycerol ethers
• Alternative Parents: Dialkyl ethers Primary alcohols Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Glycerol ether - Ether - Dialkyl ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as glycerol ethers. These are lipids containing an ether derivative of glycerol.
• 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

• 분자량: 106.120 g/mol
• XLogP3: -1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 106.063 Da
• Monoisotopic Mass: 106.063 Da
• Topological Polar Surface Area: 49.700 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 33.900
• 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