Diphenyl malonate - ≥98% , CAS No.1969-44-4

CAS: 1969-44-4 Cat. No.: D579015 分子式: 15H12O4

GRADE & PURITY ≥98%

Synonyms

SY238165 | FT-0633944 | HCWOVPZEAFLXPL-UHFFFAOYSA-N | diphenyl malonate | DTXSID80382654 | 3-Aminophenylboronic acidhemisulphate | Diphenyl Propanedioate | AKOS016010180 | MALONIC ACID DIPHENYL ESTER | Propanedioic acid, diphenyl ester | SCHEMBL153387 | A

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

SY238165 | FT-0633944 | HCWOVPZEAFLXPL-UHFFFAOYSA-N | diphenyl malonate | DTXSID80382654 | 3-Aminophenylboronic acidhemisulphate | Diphenyl Propanedioate | AKOS016010180 | MALONIC ACID DIPHENYL ESTER | Propanedioic acid, diphenyl ester | SCHEMBL153387 | A

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

カノニカル・スマイル

C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2

IUPAC Name

diphenyl propanedioate

InChIKey

HCWOVPZEAFLXPL-UHFFFAOYSA-N

INCHI

1S/C15H12O4/c16-14(18-12-7-3-1-4-8-12)11-15(17)19-13-9-5-2-6-10-13/h1-10H,11H2

異性体SMILES

C1=CC=C(C=C1)OC(=O)CC(=O)OC2=CC=CC=C2

Reaxy-Rn

1983633

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1983633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenol esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenol esters
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol esters
• Alternative Parents: Phenoxy compounds Dicarboxylic acids and derivatives 1,3-dicarbonyl compounds Carboxylic acid esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenol ester - Phenoxy compound - 1,3-dicarbonyl compound - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester 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

化学的性質と物理的性質

• 分子量: 256.250 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 256.074 Da
• Monoisotopic Mass: 256.074 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 271.000
• 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