851776-40-4
2,6-DIHYDRO-3-CYCLOPENTAPYRAZOLECARBOXYLIC ACID ETHYL ESTER
Name
2,6-DIHYDRO-3-CYCLOPENTAPYRAZOLECARBOXYLIC ACID ETHYL ESTER
Formula
C9 H10 N2 O2
MolWeight
178.19
1Identification
【Name】
2,6-DIHYDRO-3-CYCLOPENTAPYRAZOLECARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD16619982
【English Synonyms】
【Formula】
C9 H10 N2 O2
【MolWeight】
178.19
【Inchi】
InChI=1S/C9H10N2O2/c1-2-13-9(12)8-6-4-3-5-7(6)10-11-8/h3-4H,2,5H2,1H3,(H,10,11)
【InChIKey】
InChIKey=YPKUAMRKKFDJCN-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(n[nH]1)CC=C2
【MOL File】
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
2,6-DIHYDRO-3-CYCLOPENTAPYRAZOLECARBOXYLIC ACID ETHYL ESTER.cml
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