ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate

Base Information

• Chemical Name: ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate
• CAS No.: 53700-88-2
• Molecular Formula: C12H17NO4
• Molecular Weight: 239.271
• DSSTox Substance ID: DTXSID90385055
• Wikidata: Q82177606
• ChEMBL ID: CHEMBL1890614
• Mol file: 53700-88-2.mol

Synonyms:ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate;53700-88-2;CDS1_001026;Maybridge1_005778;Oprea1_837752;MLS000861023;DivK1c_002066;SCHEMBL5085234;CHEMBL1890614;HMS557O14;DTXSID90385055;WIZOCPIKLRHRGE-UHFFFAOYSA-N;HMS2796D04;3-ethoxycarbonylmethyl-5-methyl-1 H-pyrrole-2-carboxylic acid ethyl ester;CCG-248118;SMR000459807;3-ethoxycarbonylmethyl-5-methyl-1H-pyrrole-2 caboxylic acid ethyl ester;3-ethoxycarbonylmethyl-5-methyl-1H-pyrrole-2-carboxylic acid ethyl ester

Chemical Property of ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2-carboxylate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 239.11575802
• Heavy Atom Count: 17
• Complexity: 280

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)CC1=C(NC(=C1)C)C(=O)OCC

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