198065-04-2
6-HYDROXY-6-(2-NITROPHENYL)-HEXANOIC ACID
Name6-HYDROXY-6-(2-NITROPHENYL)-HEXANOIC ACID
1Identification
【Name】
6-HYDROXY-6-(2-NITROPHENYL)-HEXANOIC ACID
【CAS】
【MDL】
MFCD17013235
【English Synonyms】
【Formula】
C12 H15 N O5
【MolWeight】
253.253
【Inchi】
InChI=1S/C12H15NO5/c14-11(7-3-4-8-12(15)16)9-5-1-2-6-10(9)13(17)18/h1-2,5-6,11,14H,3-4,7-8H2,(H,15,16)
【InChIKey】
InChIKey=UIBFWSIJGPROML-UHFFFAOYSA-N
【SMILES】
c1ccc(c(c1)C(CCCCC(=O)O)O)[N+](=O)[O-]
【MOL File】
6-HYDROXY-6-(2-NITRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-HYDROXY-6-(2-NITROPHENYL)-HEXANOIC ACID.cml