acido 1-idrossiciclopentanecarbossilico - ≥97% , CAS No.16841-19-3

CAS: 16841-19-3 Cat. No.: H181982 Formula: C₆H₁₀O₃ Peso molecolare: 130.1 Numero EC: 675-134-1

GRADE & PURITY ≥97%

Synonyms

2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride | GY27900000 | 1-HYDROXYCYCLOPENTAN-1-CARBOXYLIC ACID | AKOS001302540 | BS-13024 | FT-0682353 | NSC 64918 | BB 0256922 | 1-hydroxycyclopentane-1-carboxylic a

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,7,9,11,14,16-heptaen-3-amine;hydrochloride | GY27900000 | 1-HYDROXYCYCLOPENTAN-1-CARBOXYLIC ACID | AKOS001302540 | BS-13024 | FT-0682353 | NSC 64918 | BB 0256922 | 1-hydroxycyclopentane-1-carboxylic a

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488187532

Sorrisi canonici

C1CCC(C1)(C(=O)O)O

IUPAC Name

1-hydroxycyclopentane-1-carboxylic acid

InChIKey

JJABOWZNFOCHMN-UHFFFAOYSA-N

INCHI

1S/C6H10O3/c7-5(8)6(9)3-1-2-4-6/h9H,1-4H2,(H,7,8)

Isomeri SMILES

C1CCC(C1)(C(=O)O)O

WGK Germania

3

Peso molecolare

130.1

Reaxy-Rn

1306486

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1306486&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclopentanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclopentanols
• Alternative Parents: Alpha hydroxy acids and derivatives Tertiary alcohols Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Hydroxy acid - Cyclopentanol - Alpha-hydroxy acid - Tertiary alcohol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as cyclopentanols. These are compounds containing a cyclopentane ring that carries an alcohol group.
• 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

• Peso molecolare: 130.139 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 130.063 Da
• Monoisotopic Mass: 130.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 124.000
• 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