Undecanedioic acid - 10mM in DMSO , CAS No.1852-04-6

CAS: 1852-04-6 Cat. No.: U422269 분자식: C₁₁H₂₀O₄ 분자량: 216.27 Beilstein Registry Number: 1780537 EC 번호: 217-440-6 PubChem CID: 15816

등급 & 순도 10mM in DMSO

Synonyms

Nonamethylenedicarboxylic Acid|1,9-Nonanedicarboxylicacid|1,11-Undecanedioic acid|undecandisäure|1,9-Nonanedicarboxylate|Undecanedionate|1,9-Nonanedicarboxylic acid|Hendecanedioic acid|Undecandioic acid; 1,11-Undecanedioic acid|Hendecanedioate|Undecanedioate|1,11-Undecanedioate|Undecanedionic acid|UNDECANEDIOIC ACID

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

사양

동의어

Nonamethylenedicarboxylic Acid | 1,9-Nonanedicarboxylicacid | 1,11-Undecanedioic acid | undecandisäure | 1,9-Nonanedicarboxylate | Undecanedionate | 1,9-Nonanedicarboxylic acid | Hendecanedioic acid | Undecandioic acid; 1,11-Undecanedioic acid | Hendecanedioate | Undecanedioate | 1,11-Undecanedioate | Undecanedionic acid | UNDECANEDIOIC A Show more

사양 및 순도

10mM in DMSO

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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Product Line

U422269-1ml

이름과 식별자

Pubchem Sid

528770188

정식 스마일

C(CCCCC(=O)O)CCCCC(=O)O

IUPAC Name

undecanedioic acid

InChIKey

LWBHHRRTOZQPDM-UHFFFAOYSA-N

INCHI

1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15)

이성체 SMILES

C(CCCCC(=O)O)CCCCC(=O)O

WGK 독일

3

PubChem CID

15816

분자량

216.27

Beilstein

1780537

Reaxy-Rn

1780537

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - 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 medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
• External Descriptors: Dicarboxylic acids

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): 108-110°C
• 분자량: 216.270 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 216.136 Da
• Monoisotopic Mass: 216.136 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 169.000
• 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