ethyl (5E)-5-(hydroxymethylidene)-1,3-dimethyl-4-oxo-6,7-dihydroindole-2-carboxylate

Base Information

• Chemical Name: ethyl (5E)-5-(hydroxymethylidene)-1,3-dimethyl-4-oxo-6,7-dihydroindole-2-carboxylate
• CAS No.: 54874-78-1
• Molecular Formula: C₁₄H₁₇NO₄
• Molecular Weight: 263.293
• NSC Number: 177997
• DSSTox Substance ID: DTXSID40419410
• Wikidata: Q82230399

Synonyms:NSC177997;54874-78-1;DTXSID40419410;NSC-177997

Chemical Property of ethyl (5E)-5-(hydroxymethylidene)-1,3-dimethyl-4-oxo-6,7-dihydroindole-2-carboxylate

Chemical Property:

• Vapor Pressure: 2.48E-09mmHg at 25°C
• Boiling Point: 462°Cat760mmHg
• Flash Point: 233.2°C
• Density: 1.26g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 263.11575802
• Heavy Atom Count: 19
• Complexity: 418

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C2=C(N1C)CCC(=CO)C2=O)C
• Isomeric SMILES: CCOC(=O)C1=C(C2=C(N1C)CC/C(=C\O)/C2=O)C

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