methyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Base Information

• Chemical Name: methyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
• CAS No.: 62264-99-7
• Molecular Formula: C10H13NO3
• Molecular Weight: 195.21500
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID30349696
• Wikidata: Q82125101
• ChEMBL ID: CHEMBL1549557
• Mol file: 62264-99-7.mol

Synonyms:62264-99-7;methyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate;1H-Pyrrole-3-carboxylicacid,5-acetyl-2,4-dimethyl-,methylester(9CI);MLS000039157;CHEMBL1549557;DTXSID30349696;HMS2307B12;STK831585;AKOS005609326;SMR000038506;CS-0322797

Chemical Property of methyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Chemical Property:

• PSA: 59.16000
• LogP: 1.62070
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 195.08954328
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

methyl5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=C1C(=O)OC)C)C(=O)C

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