ethyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate

CAS: 89-33-8

Molecular Formula	`C12H12N2O3`
Molecular Weight	232.23 g/mol
LogP	1.6
Topological Polar Surface Area	59.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	232.0848
Heavy Atoms	17
Complexity	346.0

Chemical Identifiers

CAS Number	89-33-8
SMILES	`CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2`
InChIKey	`WBFXQKNQVZMOSQ-UHFFFAOYSA-N`

📖 Product Overview

ethyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate (CAS: 89-33-8) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.23 g/mol. Its IUPAC systematic name is ethyl 5-oxo-1-phenyl-4H-pyrazole-3-carboxylate. LogP 1.6 Topological Polar Surface Area 59.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 232.0848 Heavy Atoms 17 Complexity 346.0 InChI Key: WBFXQKNQVZMOSQ-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2.

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