4-Methoxycarbonylcyclohexanecarboxylic acid - ≥97% , CAS No.32529-79-6

CAS: 32529-79-6 Cat. No.: M635880 Formula: C₉H₁₄O₄ Peso molecolare: 186.21 Numero EC: 688-950-8

QUALITÀ & PUREZZA ≥97%

Synonyms

15177-67-0 | TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER | 32529-79-6 | 1011-85-4 | cis-4-(Methoxycarbonyl)cyclohexanecarboxylic acid | 4-(methoxycarbonyl)cyclohexanecarboxylic acid | trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid | 4-(me

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

15177-67-0 | TRANS-1,4-CYCLOHEXANEDICARBOXYLIC ACID MONOMETHYL ESTER | 32529-79-6 | 1011-85-4 | cis-4-(Methoxycarbonyl)cyclohexanecarboxylic acid | 4-(methoxycarbonyl)cyclohexanecarboxylic acid | trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid | 4-(me

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

COC(=O)C1CCC(CC1)C(=O)O

IUPAC Name

4-methoxycarbonylcyclohexane-1-carboxylic acid

InChIKey

ZQJNPHCQABYENK-UHFFFAOYSA-N

INCHI

1S/C9H14O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)

Isomeri SMILES

COC(=O)C1CCC(CC1)C(=O)O

CAS alternativo

1011-85-4,32529-79-6,15177-67-0

Numero NSC

167365

Peso molecolare

186.21

Reaxy-Rn

1873468

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1873468&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Methyl esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Methyl ester - Carboxylic acid ester - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 107-110°
• Peso molecolare: 186.200 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 186.089 Da
• Monoisotopic Mass: 186.089 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 204.000
• 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