53666-80-1
5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBONITRILE
Name5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBONITRILE
1Identification
【Name】
5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBONITRILE
【CAS】
【MDL】
MFCD20228959
【English Synonyms】
【Formula】
C4 H3 N3 O
【MolWeight】
109.088
【Inchi】
InChI=1S/C4H3N3O/c5-2-3-1-4(8)7-6-3/h1H2,(H,7,8)
【InChIKey】
InChIKey=URRPNFVFXYPXDP-UHFFFAOYSA-N
【SMILES】
C1C(=NNC1=O)C#N
【MOL File】
5-OXO-4,5-DIHYDRO-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-OXO-4,5-DIHYDRO-1H-PYRAZOLE-3-CARBONITRILE.cml