70978-47-1
1-(5-ETHYL-2-HYDROXY-3-NITROPHENYL)PROPAN-1-ONE
Name1-(5-ETHYL-2-HYDROXY-3-NITROPHENYL)PROPAN-1-ONE
1Identification
【Name】
1-(5-ETHYL-2-HYDROXY-3-NITROPHENYL)PROPAN-1-ONE
【CAS】
【MDL】
MFCD03424523
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C11 H13 N O4
【pro_molWeight】
223.227
【Inchi】
InChI=1S/C11H13NO4/c1-3-7-5-8(10(13)4-2)11(14)9(6-7)12(15)16/h5-6,14H,3-4H2,1-2H3
【InChIKey】
InChIKey=OERXDHSXDFTTGV-UHFFFAOYSA-N
【SMILES】
CCc1cc(c(c(c1)[N+](=O)[O-])O)C(=O)CC
【MOL File】
1-(5-ETHYL-2-HYDROXY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(5-ETHYL-2-HYDROXY-3-NITROPHENYL)PROPAN-1-ONE.cml