175136-71-7
2-(2,6-DIMETHYLMORPHOLINO)-5-NITROBENZOIC ACID
Name2-(2,6-DIMETHYLMORPHOLINO)-5-NITROBENZOIC ACID
1Identification
【Name】
2-(2,6-DIMETHYLMORPHOLINO)-5-NITROBENZOIC ACID
【CAS】
【MDL】
MFCD00052231
【English Synonyms】
【Formula】
C13 H16 N2 O5
【MolWeight】
280.278
【Inchi】
InChI=1S/C13H16N2O5/c1-8-6-14(7-9(2)20-8)12-4-3-10(15(18)19)5-11(12)13(16)17/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=UIPNFRABNZPIBW-UHFFFAOYSA-N
【SMILES】
CC1CN(CC(O1)C)c2ccc(cc2C(=O)O)[N+](=O)[O-]
【MOL File】
2-(2,6-DIMETHYLMORPH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,6-DIMETHYLMORPHOLINO)-5-NITROBENZOIC ACID.cml