854405-75-7
1-METHYL-1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID
Name1-METHYL-1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID
1Identification
【Name】
1-METHYL-1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09901262
【English Synonyms】
【Formula】
C8 H10 N2 O2
【MolWeight】
166.179
【Inchi】
InChI=1S/C8H10N2O2/c1-10-6-4-2-3-5(6)7(9-10)8(11)12/h2-4H2,1H3,(H,11,12)
【InChIKey】
InChIKey=VJHXHXGIWYIILZ-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(n1)C(=O)O)CCC2
【MOL File】
1-METHYL-1,4,5,6-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-METHYL-1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID.cml