cis-3-hydroxycyclohexanecarboxylic acid - ≥97% , CAS No.22267-35-2

CAS: 22267-35-2 Cat. No.: C632163 分子式: C₇H₁₂O₃ 分子量: 144.17 EC番号: 975-931-7

GRADE & PURITY ≥97%

Synonyms

(1r,3s)-3-hydroxycyclohexane-1-carboxylic acid | AMY35679 | P19688 | EN300-151443 | MFCD31928746 | ZB1698 | AS-54185 | DTXSID00540032 | SCHEMBL3939408 | MFCD19228123 | (1R,3S)-3-Hydroxycyclohexanecarboxylic acid | P17607 | cis-3-hydroxycyclohexanecarboxyl

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

(1r,3s)-3-hydroxycyclohexane-1-carboxylic acid | AMY35679 | P19688 | EN300-151443 | MFCD31928746 | ZB1698 | AS-54185 | DTXSID00540032 | SCHEMBL3939408 | MFCD19228123 | (1R,3S)-3-Hydroxycyclohexanecarboxylic acid | P17607 | cis-3-hydroxycyclohexanecarboxyl

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• カノニカル・スマイル: C1CC(CC(C1)O)C(=O)O
• IUPAC Name: (1R,3S)-3-hydroxycyclohexane-1-carboxylic acid
• InChIKey: JBZDHFKPEDWWJC-RITPCOANSA-N
• INCHI: 1S/C7H12O3/c8-6-3-1-2-5(4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6+/m1/s1
• 異性体SMILES: C1C[C@H](C[C@H](C1)O)C(=O)O
• 代替CAS番号: 21531-44-2
• 分子量: 144.17
• Reaxy-Rn: 3236737
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236737&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Secondary alcohols
          • Level6 Cyclohexanols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Secondary alcohols
• Direct Parent: Cyclohexanols
• Alternative Parents: Cyclic alcohols and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexanol - Cyclic alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclohexanols. These are compounds containing an alcohol group attached to a cyclohexane ring.
• 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

化学的性質と物理的性質

• 分子量: 144.170 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.079 Da
• Monoisotopic Mass: 144.079 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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

よくある質問

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 22267-35-2, the molecular formula is C7H12O3, and the molecular weight is 144.17 g/mol. InChIKey JBZDHFKPEDWWJC-RITPCOANSA-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.