724744-76-7
1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID
Name1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD04154121
【English Synonyms】
【Formula】
C14 H15 N O2
【MolWeight】
229.277
【Inchi】
InChI=1S/C14H15NO2/c1-3-15-10(2)12(14(16)17)9-13(15)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=MZWAEZCLYPDAIQ-UHFFFAOYSA-N
【SMILES】
CCn1c(c(cc1c2ccccc2)C(=O)O)C
【MOL File】
1-ETHYL-2-METHYL-5-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-2-METHYL-5-PHENYL-1H-PYRROLE-3-CARBOXYLIC ACID.cml