56187-89-4
XIMOPROFEN
Name
XIMOPROFEN
Formula
C15 H19 N O3
MolWeight
261.319
1Identification
【Name】
XIMOPROFEN
【CAS】
【MDL】
MFCD00866117
【English Synonyms】
【Formula】
C15 H19 N O3
【MolWeight】
261.319
【Inchi】
InChI=1S/C15H19NO3/c1-10(15(17)18)11-5-7-12(8-6-11)13-3-2-4-14(9-13)16-19/h5-8,10,13,19H,2-4,9H2,1H3,(H,17,18)/b16-14-
【InChIKey】
InChIKey=IQPPOXSMSDPZKU-PEZBUJJGSA-N
【SMILES】
CC(c1ccc(cc1)C2CCC/C(=N/O)/C2)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
XIMOPROFEN.cml
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