423769-78-2
4-ACETYL-1-CYCLOPROPYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
Name
4-ACETYL-1-CYCLOPROPYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
Formula
C12 H15 N O3
MolWeight
221.255
1Identification
【Name】
4-ACETYL-1-CYCLOPROPYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD03407365
【English Synonyms】
【Formula】
C12 H15 N O3
【MolWeight】
221.255
【Inchi】
InChI=1S/C12H15NO3/c1-6-10(8(3)14)11(12(15)16)7(2)13(6)9-4-5-9/h9H,4-5H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=JSEIYOKZAHNTFI-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(n1C2CC2)C)C(=O)O)C(=O)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
4-ACETYL-1-CYCLOPROPYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID.cml
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