856256-55-8
4-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID
Name4-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
4-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD11109621
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C8 H10 N2 O2
【pro_molWeight】
166.179
【Inchi】
InChI=1S/C8H10N2O2/c1-4-2-3-5-6(4)7(8(11)12)10-9-5/h4H,2-3H2,1H3,(H,9,10)(H,11,12)
【InChIKey】
InChIKey=UIJZMDMZDGZOOP-UHFFFAOYSA-N
【SMILES】
CC1CCc2c1c(n[nH]2)C(=O)O
【MOL File】
4-METHYL-1,4,5,6-TET….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:4
XLogP3:1.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
4-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTA[C]PYRAZOLE-3-CARBOXYLIC ACID.cml