69976-71-2
1-(3-METHYL-2-NITROPHENYL)ETHAN-1-ONE
Name1-(3-METHYL-2-NITROPHENYL)ETHAN-1-ONE
1Identification
【Name】
1-(3-METHYL-2-NITROPHENYL)ETHAN-1-ONE
【CAS】
【MDL】
MFCD00179580
【English Synonyms】
【Formula】
C9 H9 N O3
【MolWeight】
179.174
【Inchi】
InChI=1S/C9H9NO3/c1-6-4-3-5-8(7(2)11)9(6)10(12)13/h3-5H,1-2H3
【InChIKey】
InChIKey=DUCHUNIEWUJFKM-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1[N+](=O)[O-])C(=O)C
【MOL File】
1-(3-METHYL-2-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-METHYL-2-NITROPHENYL)ETHAN-1-ONE.cml