400077-10-3
3-(3-METHOXYPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE
Name3-(3-METHOXYPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE
1Identification
【Name】
3-(3-METHOXYPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE
【CAS】
【MDL】
MFCD00665650
【English Synonyms】
【Formula】
C13 H14 N2 O
【MolWeight】
214.267
【Inchi】
InChI=1S/C13H14N2O/c1-16-10-5-2-4-9(8-10)13-11-6-3-7-12(11)14-15-13/h2,4-5,8H,3,6-7H2,1H3,(H,14,15)
【InChIKey】
InChIKey=SZINELHOCJUWLD-UHFFFAOYSA-N
【SMILES】
COc1cccc(c1)c2c3c(n[nH]2)CCC3
【MOL File】
3-(3-METHOXYPHENYL)-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3-METHOXYPHENYL)-2,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE.cml