5932-31-0
1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
Name1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD07778361
【English Synonyms】
【Formula】
C9 H12 N2 O2
【MolWeight】
180.206
【Inchi】
InChI=1S/C9H12N2O2/c1-2-13-9(12)8-6-4-3-5-7(6)10-11-8/h2-5H2,1H3,(H,10,11)
【InChIKey】
InChIKey=NDGAORNQTOHHSU-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c([nH]n1)CCC2
【MOL File】
1,4,5,6-TETRAHYDRO-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER.cml