856256-53-6
6-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
Name6-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
6-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD09870061
【English Synonyms】
【Formula】
C10 H14 N2 O2
【MolWeight】
194.233
【Inchi】
InChI=1S/C10H14N2O2/c1-3-14-10(13)9-7-5-4-6(2)8(7)11-12-9/h6H,3-5H2,1-2H3,(H,11,12)
【InChIKey】
InChIKey=PEMGAAXWEYIQNQ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c([nH]n1)C(CC2)C
【MOL File】
6-METHYL-1,4,5,6-TET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
6-METHYL-1,4,5,6-TETRAHYDROCYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER.cml