1,3-Dioxoisoindolin-2-yl cyclohexanecarboxylate - ≥97% , CAS No.126812-30-4

CAS: 126812-30-4 Cat. No.: D586877 분자식: C₁₅H₁₅NO₄ 분자량: 273.28 EC 번호: 847-051-2

GRADE & PURITY ≥97%

Synonyms

MFCD02189535 | A1-33265 | STK223456 | IDI1_022073 | BFA81230 | SR-01000504847-1 | HMS1484N05 | Cambridge id 7029765 | BRD-K17570253-001-01-0 | AT20652 | AN-979/15447008 | SR-01000504847 | ChemDiv3_004163 | (1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate |

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

동의어

MFCD02189535 | A1-33265 | STK223456 | IDI1_022073 | BFA81230 | SR-01000504847-1 | HMS1484N05 | Cambridge id 7029765 | BRD-K17570253-001-01-0 | AT20652 | AN-979/15447008 | SR-01000504847 | ChemDiv3_004163 | (1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate |

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥97%

이름과 식별자

Pubchem Sid

504759946

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759946

정식 스마일

C1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O

IUPAC Name

(1,3-dioxoisoindol-2-yl) cyclohexanecarboxylate

InChIKey

VXTXIRMTGIZWEI-UHFFFAOYSA-N

INCHI

1S/C15H15NO4/c17-13-11-8-4-5-9-12(11)14(18)16(13)20-15(19)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2

이성체 SMILES

C1CCC(CC1)C(=O)ON2C(=O)C3=CC=CC=C3C2=O

분자량

273.28

Reaxy-Rn

6976020

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6976020&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Benzenoids Carboxylic acid salts Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Benzenoid - Carboxylic acid salt - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 273.280 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 273.1 Da
• Monoisotopic Mass: 273.1 Da
• Topological Polar Surface Area: 63.700 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 404.000
• 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

자주 묻는 질문

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 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 126812-30-4, the molecular formula is C15H15NO4, and the molecular weight is 273.28 g/mol. InChIKey VXTXIRMTGIZWEI-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.