53193-87-6
2-HYDROXY-5-[(2-METHYL-1-OXO-2-PROPEN-1-YL)AMINO]BENZOIC ACID
Name2-HYDROXY-5-[(2-METHYL-1-OXO-2-PROPEN-1-YL)AMINO]BENZOIC ACID
1Identification
【Name】
2-HYDROXY-5-[(2-METHYL-1-OXO-2-PROPEN-1-YL)AMINO]BENZOIC ACID
【CAS】
【MDL】
MFCD16038674
【English Synonyms】
【Formula】
C11 H11 N O4
【MolWeight】
221.211
【Inchi】
InChI=1S/C11H11NO4/c1-6(2)10(14)12-7-3-4-9(13)8(5-7)11(15)16/h3-5,13H,1H2,2H3,(H,12,14)(H,15,16)
【InChIKey】
InChIKey=XEYLAWVXYZUVDD-UHFFFAOYSA-N
【SMILES】
CC(=C)C(=O)Nc1ccc(c(c1)C(=O)O)O
【MOL File】
2-HYDROXY-5-[(2-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-HYDROXY-5-[(2-METHYL-1-OXO-2-PROPEN-1-YL)AMINO]BENZOIC ACID.cml