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

CAS: 4720-82-5 Cat. No.: P160194 Peso molecular: 300.27 Número EC: 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

Sinónimos

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

Especificaciones y pureza

≥99%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=CC4=C(C=C3)OCO4)O
• PubChem CID: 97786
• Peso molecular: 300.27

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Peso molecular: 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