338975-51-2
METHYL 2-(([(4Z)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL)AMINO)ACETATE
NameMETHYL 2-(([(4Z)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL)AMINO)ACETATE
1Identification
【Name】
METHYL 2-(([(4Z)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL)AMINO)ACETATE
【CAS】
【MDL】
MFCD00138338
【English Synonyms】
【Formula】
C8 H11 N3 O3
【MolWeight】
197.193
【Inchi】
InChI=1S/C8H11N3O3/c1-5-6(8(13)11-10-5)3-9-4-7(12)14-2/h3,9H,4H2,1-2H3,(H,11,13)/b6-3-
【InChIKey】
InChIKey=YDFQFQPZVMKMRR-UTCJRWHESA-N
【SMILES】
CC\1=NNC(=O)/C1=C\NCC(=O)OC
【MOL File】
METHYL 2-(([(4Z)-3-M….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 2-(([(4Z)-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-4-YLIDENE]METHYL)AMINO)ACETATE.cml