500861-01-8
BUTYL 5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE
NameBUTYL 5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE
1Identification
【Name】
BUTYL 5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD20229645
【English Synonyms】
【Formula】
C8 H12 N2 O3
【MolWeight】
184.194
【Inchi】
InChI=1S/C8H12N2O3/c1-2-3-4-13-8(12)6-5-7(11)10-9-6/h2-5H2,1H3,(H,10,11)
【InChIKey】
InChIKey=RNMYFJWNJBPDIS-UHFFFAOYSA-N
【SMILES】
CCCCOC(=O)C1=NNC(=O)C1
【MOL File】
BUTYL 5-OXO-4,5-DIHY….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
BUTYL 5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBOXYLATE.cml