112307-31-0
(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZOIC ACID
Name(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZOIC ACID
1Identification
【Name】
(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZOIC ACID
【CAS】
【MDL】
MFCD01550225
【English Synonyms】
【Formula】
C17 H14 N4 O3
【MolWeight】
322.323
【Inchi】
InChI=1S/C17H14N4O3/c1-11-15(16(22)21(20-11)12-7-3-2-4-8-12)19-18-14-10-6-5-9-13(14)17(23)24/h2-10,18H,1H3,(H,23,24)/b19-15+
【InChIKey】
InChIKey=BLZHUECAIOIEOD-XDJHFCHBSA-N
【SMILES】
CC\1=NN(C(=O)/C1=N/Nc2ccccc2C(=O)O)c3ccccc3
【MOL File】
(E)-2-(2-(3-METHYL-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(E)-2-(2-(3-METHYL-5-OXO-1-PHENYL-1H-PYRAZOL-4(5H)-YLIDENE)HYDRAZINYL)BENZOIC ACID.cml