Methyl 3-[(1H-pyrrol-1-yl)methyl]benzoate

Base Information

• Chemical Name: Methyl 3-[(1H-pyrrol-1-yl)methyl]benzoate
• CAS No.: 168618-98-2
• Molecular Formula: C13H13NO2
• Molecular Weight: 215.25
• DSSTox Substance ID: DTXSID60596732
• Nikkaji Number: J3.230.544J
• Wikidata: Q82492061
• Mol file: 168618-98-2.mol

Synonyms:Methyl 3-[(1H-pyrrol-1-yl)methyl]benzoate;168618-98-2;methyl 3-(pyrrol-1-ylmethyl)benzoate;METHYL 3-PYRROL-1-YLMETHYL-BENZOATE;SCHEMBL7830882;DTXSID60596732;OSXXTIJEACAFKU-UHFFFAOYSA-N;methyl 3-pyrrol-1-ylmethylbenzoate;methyl 3-(pyrrol-1-yl)methylbenzoate;3-(1H-Pyrrole-1-ylmethyl)benzoic acid methyl ester

Chemical Property of Methyl 3-[(1H-pyrrol-1-yl)methyl]benzoate

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 215.094628657
• Heavy Atom Count: 16
• Complexity: 236

Purity/Quality:

99.0%Min ^*data from raw suppliers

METHYL 3-PYRROL-1-YLMETHYL-BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1)CN2C=CC=C2