518990-21-1
ETHYL 1,4,6,7-TETRAHYDROPYRANO[4,3-C]PYRAZOLE-3-CARBOXYLATE
NameETHYL 1,4,6,7-TETRAHYDROPYRANO[4,3-C]PYRAZOLE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 1,4,6,7-TETRAHYDROPYRANO[4,3-C]PYRAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD18250672
【English Synonyms】
【Formula】
C9 H12 N2 O3
【MolWeight】
196.205
【Inchi】
InChI=1S/C9H12N2O3/c1-2-14-9(12)8-6-5-13-4-3-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
【InChIKey】
InChIKey=NIQZAUPMNUPTMP-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c([nH]n1)CCOC2
【MOL File】
ETHYL 1,4,6,7-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 1,4,6,7-TETRAHYDROPYRANO[4,3-C]PYRAZOLE-3-CARBOXYLATE.cml