96197-36-3
1-PHENYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID
Name1-PHENYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-PHENYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD08444490
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C13 H12 N2 O2
【pro_molWeight】
228.25
【Inchi】
InChI=1S/C13H12N2O2/c16-13(17)12-10-7-4-8-11(10)15(14-12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,16,17)
【InChIKey】
InChIKey=GLJYJHLGZYJNJK-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c3c(c(n2)C(=O)O)CCC3
【MOL File】
1-PHENYL-1,4,5,6-TET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:4
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-PHENYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID.cml