1821-59-6
3-(2-OXO-2-PHENYLETHYL)-5,6-DIHYDROPYRAZIN-2(1H)-ONE
Name3-(2-OXO-2-PHENYLETHYL)-5,6-DIHYDROPYRAZIN-2(1H)-ONE
1Identification
【Name】
3-(2-OXO-2-PHENYLETHYL)-5,6-DIHYDROPYRAZIN-2(1H)-ONE
【CAS】
【MDL】
MFCD00447921
【English Synonyms】
【Formula】
C12 H12 N2 O2
【MolWeight】
216.239
【Inchi】
InChI=1S/C12H12N2O2/c15-11(9-4-2-1-3-5-9)8-10-12(16)14-7-6-13-10/h1-5H,6-8H2,(H,14,16)
【InChIKey】
InChIKey=RRWPHOVAKCTEFC-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)CC2=NCCNC2=O
【MOL File】
3-(2-OXO-2-PHENYLETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(2-OXO-2-PHENYLETHYL)-5,6-DIHYDROPYRAZIN-2(1H)-ONE.cml