cis,cis-Muconic acid - 10mM in DMSO , CAS No.1119-72-8

CAS: 1119-72-8 Cat. No.: C420637 Formula: C₆H₆O₄ Peso molecolare: 142.11 Beilstein Registry Number: 1722246 Numero EC: 628-830-4

GRADE & PURITY 10mM in DMSO

Synonyms

HY-W000800 | 2,4-Hexadienedioic acid, (2Z,4Z)- | (Z,Z)-2,4-hexadienedioate | CHEBI:16508 | C02480 | (2Z,4Z)-2,4-Hexadienedioicacid | (Z,Z)-2,4-hexadienedioic acid | (z,z)-muconic acid | 2,4-Hexadienedioic acid, (Z,Z)- | UNII-2G78TUQ51G | 2G78TUQ51G | Q271

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

cis,cis-Muconic acid is a naturally-occurring organic acid. It is used in the manufacture of several widely-used consumer plastics. Its microbial production via extending shikimate pathway has been reported.

Specifications

Sinonimi

HY-W000800 | 2,4-Hexadienedioic acid, (2Z,4Z)- | (Z,Z)-2,4-hexadienedioate | CHEBI:16508 | C02480 | (2Z,4Z)-2,4-Hexadienedioicacid | (Z,Z)-2,4-hexadienedioic acid | (z,z)-muconic acid | 2,4-Hexadienedioic acid, (Z,Z)- | UNII-2G78TUQ51G | 2G78TUQ51G | Q271

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528776441

Sorrisi canonici

C(=CC(=O)O)C=CC(=O)O

IUPAC Name

(2Z,4Z)-hexa-2,4-dienedioic acid

InChIKey

TXXHDPDFNKHHGW-CCAGOZQPSA-N

INCHI

1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1-,4-2-

Isomeri SMILES

C(=C\C(=O)O)\C=C/C(=O)O

WGK Germania

3

Peso molecolare

142.11

Beilstein

1722246

Reaxy-Rn

1722248

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1722248&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain fatty acids
• Alternative Parents: Unsaturated fatty acids Dicarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain fatty acid - Unsaturated 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Air sensitive
• Punto di fusione (°C): 194 - 195 °C
• Peso molecolare: 142.110 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 142.027 Da
• Monoisotopic Mass: 142.027 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 168.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1