90433-85-5
1-(1,2,5-TRIMETHYL-1H-PYRROL-3-YL)-ETHANONE
Name1-(1,2,5-TRIMETHYL-1H-PYRROL-3-YL)-ETHANONE
1Identification
【Name】
1-(1,2,5-TRIMETHYL-1H-PYRROL-3-YL)-ETHANONE
【CAS】
【MDL】
MFCD12031183
【English Synonyms】
【Formula】
C9 H13 N O
【MolWeight】
151.208
【Inchi】
InChI=1S/C9H13NO/c1-6-5-9(8(3)11)7(2)10(6)4/h5H,1-4H3
【InChIKey】
InChIKey=AKJLJJDUCFNCCV-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1C)C)C(=O)C
【MOL File】
1-(1,2,5-TRIMETHYL-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(1,2,5-TRIMETHYL-1H-PYRROL-3-YL)-ETHANONE.cml