861383-10-0
5-KETO-3,4-DIMETHYL-DELTA-2-1-PYRAZOLINECARBOXYLIC ACID
Name5-KETO-3,4-DIMETHYL-DELTA-2-1-PYRAZOLINECARBOXYLIC ACID
1Identification
【Name】
5-KETO-3,4-DIMETHYL-DELTA-2-1-PYRAZOLINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD17018252
【English Synonyms】
【Formula】
C6 H8 N2 O3
【MolWeight】
156.14
【Inchi】
InChI=1S/C6H8N2O3/c1-3-4(2)7-8(5(3)9)6(10)11/h3H,1-2H3,(H,10,11)
【InChIKey】
InChIKey=LBHPLQYVCHJLJY-UHFFFAOYSA-N
【SMILES】
CC1C(=NN(C1=O)C(=O)O)C
【MOL File】
5-KETO-3,4-DIMETHYL-….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
5-KETO-3,4-DIMETHYL-DELTA-2-1-PYRAZOLINECARBOXYLIC ACID.cml