91560-09-7
(1-METHYL-2(1H)-PYRIMIDINYLIDENE)HYDRAZIDE BENZOIC ACID
Name(1-METHYL-2(1H)-PYRIMIDINYLIDENE)HYDRAZIDE BENZOIC ACID
1Identification
【Name】
(1-METHYL-2(1H)-PYRIMIDINYLIDENE)HYDRAZIDE BENZOIC ACID
【CAS】
【MDL】
MFCD03411796
【English Synonyms】
【Formula】
C12 H12 N4 O
【MolWeight】
228.254
【Inchi】
InChI=1S/C12H12N4O/c1-16-9-5-8-13-12(16)15-14-11(17)10-6-3-2-4-7-10/h2-9H,1H3,(H,14,17)/b15-12+
【InChIKey】
InChIKey=NHDZUMGJVUAFTR-NTCAYCPXSA-N
【SMILES】
Cn\1cccn/c1=N\NC(=O)c2ccccc2
【MOL File】
(1-METHYL-2(1H)-PYRI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(1-METHYL-2(1H)-PYRIMIDINYLIDENE)HYDRAZIDE BENZOIC ACID.cml