5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid

Base Information

• Chemical Name: 5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid
• CAS No.: 134209-74-8
• Molecular Formula: C₇H₇NO₃
• Molecular Weight: 153.137
• European Community (EC) Number: 868-706-9
• DSSTox Substance ID: DTXSID30576965
• Wikidata: Q82466851
• Mol file: 134209-74-8.mol

Synonyms:134209-74-8;5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 5-formyl-3-methyl- (9CI);SCHEMBL4470824;DTXSID30576965;HAECHZMQFYEKKN-UHFFFAOYSA-N;SB63523;CS-0444985;5-formyl-3-methyl-1H-pyrrole-2-carboxylicacid;EN300-194440;1H-Pyrrole-2-carboxylic acid,5-formyl-3-methyl-(9ci);Z1255462742

Chemical Property of 5-formyl-3-methyl-1H-pyrrole-2-carboxylic acid

Chemical Property:

• PSA: 70.16000
• LogP: 0.83380
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 181

Purity/Quality:

97% ^*data from raw suppliers

5-Formyl-3-methyl-1H-pyrrole-2-carboxylicacid 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

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