Piperoin - ≥99%(HPLC) , CAS No.4720-82-5

CAS: 4720-82-5 Cat. No.: P160194 分子式: C₁₆H₁₂O₆ 分子量: 300.27 EC番号: 664-102-2 PubChem CID: 97786

GRADE & PURITY ≥99%(HPLC)

Synonyms

BNSRFLSWNIACBZ-UHFFFAOYSA-N | 1,2-Bis(benzo[d][1,3]dioxol-5-yl)-2-hydroxyethanone | NSC 39453 | 5-(2-(1,3-BENZODIOXOL-5-YL)-2-(HYDROXY)ACETYL)-1,3-BENZODIOXOLE | NSC40921 | NSC-40921 | 3,4:3',4'-Bis(methylenedioxy)benzoin | BRN 0327019 | Bis(3,4-methylene

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

BNSRFLSWNIACBZ-UHFFFAOYSA-N | 1,2-Bis(benzo[d][1,3]dioxol-5-yl)-2-hydroxyethanone | NSC 39453 | 5-(2-(1,3-BENZODIOXOL-5-YL)-2-(HYDROXY)ACETYL)-1,3-BENZODIOXOLE | NSC40921 | NSC-40921 | 3,4:3',4'-Bis(methylenedioxy)benzoin | BRN 0327019 | Bis(3,4-methylene

仕様と純度

≥99%(HPLC)

保管条件

Room temperature

入荷

Normal

純度

≥99%(HPLC)

名前と識別子

• カノニカル・スマイル: C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=CC4=C(C=C3)OCO4)O
• IUPAC Name: 1,2-bis(1,3-benzodioxol-5-yl)-2-hydroxyethanone
• InChIKey: BNSRFLSWNIACBZ-UHFFFAOYSA-N
• INCHI: 1S/C16H12O6/c17-15(9-1-3-11-13(5-9)21-7-19-11)16(18)10-2-4-12-14(6-10)22-8-20-12/h1-6,15,17H,7-8H2
• 異性体SMILES: C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=CC4=C(C=C3)OCO4)O
• PubChem CID: 97786
• 分子量: 300.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes
      • Subclass Benzoins

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Benzoins
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoins
• Alternative Parents: Benzodioxoles Aryl alkyl ketones Benzenoids Acyloins Alpha-hydroxy ketones Secondary alcohols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoin - Benzodioxole - Aryl alkyl ketone - Aryl ketone - Benzenoid - Acyloin - Alpha-hydroxy ketone - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl 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

化学的性質と物理的性質

• 分子量: 300.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 300.063 Da
• Monoisotopic Mass: 300.063 Da
• Topological Polar Surface Area: 74.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 427.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. 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 4720-82-5, the molecular formula is C16H12O6, and the molecular weight is 300.27 g/mol. InChIKey BNSRFLSWNIACBZ-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.