Hydrindantin - ≥97% , CAS No.5103-42-4

CAS: 5103-42-4 Cat. No.: H464252 分子式: C₁₈H₁₀O₆ 分子量: 322.27 EC番号: 225-823-4

GRADE & PURITY ≥97%

Synonyms

[2,1',3,3'-tetrone, 2,2'-dihydroxy- | DTXSID8063701 | HYDRINDANTIN | UNII-P469P1DDC0 | [2,2'-Biindan]-1,1',3,3'-tetrone, 2,2'-dihydroxy- | 2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone | LWFPYLZOVOCBPZ-UHFFFAOYSA-N | NSC83617 | NSC-8361

Storage

Room temperature

Shipped In

Normal

概要

Used in the determination of amino acids.

Specifications

同義語

[2,1',3,3'-tetrone, 2,2'-dihydroxy- | DTXSID8063701 | HYDRINDANTIN | UNII-P469P1DDC0 | [2,2'-Biindan]-1,1',3,3'-tetrone, 2,2'-dihydroxy- | 2,2'-Dihydroxy-1H,1'H-[2,2'-biindene]-1,1',3,3'(2H,2'H)-tetraone | LWFPYLZOVOCBPZ-UHFFFAOYSA-N | NSC83617 | NSC-8361

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: C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O
• IUPAC Name: 2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione
• InChIKey: LWFPYLZOVOCBPZ-UHFFFAOYSA-N
• INCHI: 1S/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H
• 異性体SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O
• 分子量: 322.27
• Reaxy-Rn: 2062753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062753&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanediones
• Alternative Parents: Aryl alkyl ketones Acyloins Tertiary alcohols 1,2-diols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanedione - Aryl alkyl ketone - Aryl ketone - Acyloin - Tertiary alcohol - Ketone - 1,2-diol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indanediones. These are compounds containing an indane ring bearing two ketone 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

• 融点（°C）: 252° C (dec.)
• 分子量: 322.300 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 322.048 Da
• Monoisotopic Mass: 322.048 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 546.000
• 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

参考文献

1. Zhan Li, Jianhua Zhang, Hengjie Zhang, Tianyou Wang, Yuxian Song, Pengyu Liu, Yiwen Li, Hong Liu, Wancai Guo, Zhipeng Gu.  (2025)  Multifunctional Polyphenolic Nanoparticle-Cross-Linked Aminoglycoside Hydrogels.  BIOMACROMOLECULES,      [PMID:41111207] [10.1021/acs.biomac.5c01289]