cis-3-hydroxycyclobutanecarboxylic acid - ≥97% , CAS No.552849-33-9

CAS: 552849-33-9 Cat. No.: C176780 Formula: C₅H₈O₃ Peso molecolare: 116.116 Numero EC: 822-809-5

GRADE & PURITY ≥97%

Synonyms

Spectrum5_001062 | trans-3-Hydroxycyclobutanecarboxylicacid | BCP27486 | (1R,3R)-3-hydroxycyclobutanecarboxylic acid | Cyclobutanecarboxylicacid,3-hydroxy-,cis- | DTXSID90941231 | SB20721 | SY042433 | J-520138 | KBioSS_002181 | AKOS015995238 | DTXSID00127

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

Spectrum5_001062 | trans-3-Hydroxycyclobutanecarboxylicacid | BCP27486 | (1R,3R)-3-hydroxycyclobutanecarboxylic acid | Cyclobutanecarboxylicacid,3-hydroxy-,cis- | DTXSID90941231 | SB20721 | SY042433 | J-520138 | KBioSS_002181 | AKOS015995238 | DTXSID00127

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1C(CC1O)C(=O)O

IUPAC Name

3-hydroxycyclobutane-1-carboxylic acid

InChIKey

ZSHGVMYLGGANKU-UHFFFAOYSA-N

INCHI

1S/C5H8O3/c6-4-1-3(2-4)5(7)8/h3-4,6H,1-2H2,(H,7,8)

Isomeri SMILES

C1C(CC1O)C(=O)O

Peso molecolare

116.116

Reaxy-Rn

11407445

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11407445&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Secondary alcohol - Cyclobutanol - 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 cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 116.110 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 116.047 Da
• Monoisotopic Mass: 116.047 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 104.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 552849-33-9, the molecular formula is C5H8O3, and the molecular weight is 116.116 g/mol. InChIKey ZSHGVMYLGGANKU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.