4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid

Base Information

• Chemical Name: 4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid
• CAS No.: 409353-44-2
• Molecular Formula: C15H15NO3
• Molecular Weight: 257.28
• DSSTox Substance ID: DTXSID801182623
• Mol file: 409353-44-2.mol

Synonyms:4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid;409353-44-2;4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoic acid;4-(3-formyl-2,5-dimethylpyrrol-1-yl)-3-methylbenzoic acid;Oprea1_544571;Oprea1_582867;SCHEMBL2562958;DTXSID801182623;AKOS000113812;BS-51059;CS-0118986;F74396;4-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)-3-methylbenzoicacid

Chemical Property of 4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 257.10519334
• Heavy Atom Count: 19
• Complexity: 357

Purity/Quality:

97% ^*data from raw suppliers

4-(3-Formyl-2,5-dimethyl-pyrrol-1-yl)-3-methyl-benzoic acid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=C(N1C2=C(C=C(C=C2)C(=O)O)C)C)C=O

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