351416-88-1
1-METHYL-4-(1-METHYLETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID
Name1-METHYL-4-(1-METHYLETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-METHYL-4-(1-METHYLETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD18810354
【English Synonyms】
【Formula】
C9 H13 N O2
【MolWeight】
167.207
【Inchi】
InChI=1S/C9H13NO2/c1-6(2)7-4-10(3)5-8(7)9(11)12/h4-6H,1-3H3,(H,11,12)
【InChIKey】
InChIKey=ZVSHVRDSVAEMOV-UHFFFAOYSA-N
【SMILES】
CC(C)c1cn(cc1C(=O)O)C
【MOL File】
1-METHYL-4-(1-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-4-(1-METHYLETHYL)-1H-PYRROLE-3-CARBOXYLIC ACID.cml