856847-41-1
3-PYRAZOLIN-5-ONE, 4-ALLYL-1,3-DIMETHYL-
Name3-PYRAZOLIN-5-ONE, 4-ALLYL-1,3-DIMETHYL-
1Identification
【Name】
3-PYRAZOLIN-5-ONE, 4-ALLYL-1,3-DIMETHYL-
【CAS】
【MDL】
MFCD16878185
【English Synonyms】
【Formula】
C8 H12 N2 O
【MolWeight】
152.196
【Inchi】
InChI=1S/C8H12N2O/c1-4-5-7-6(2)9-10(3)8(7)11/h4,9H,1,5H2,2-3H3
【InChIKey】
InChIKey=GMTLSNYTOPGZKI-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n([nH]1)C)CC=C
【MOL File】
3-PYRAZOLIN-5-ONE, 4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PYRAZOLIN-5-ONE, 4-ALLYL-1,3-DIMETHYL-.cml