76923-16-5
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
Name3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
1Identification
【Name】
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD06659797
【English Synonyms】
【Formula】
C13 H14 N2 O2
【MolWeight】
230.266
【Inchi】
InChI=1S/C13H14N2O2/c1-3-17-13(16)11-9(2)14-15-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=NIVCIGONLNLBNV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c(n[nH]c1c2ccccc2)C
【MOL File】
3-METHYL-5-PHENYL-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-5-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER.cml