(4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate

Base Information

• Chemical Name: (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate
• CAS No.: 80336-03-4
• Molecular Formula: C13H16N2O3
• DSSTox Substance ID: DTXSID70391598
• ChEMBL ID: CHEMBL1392034
• Mol file: 80336-03-4.mol

Synonyms:80336-03-4;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate;(4-methyl-3-oxo-1-phenyltetrahydro-1H-pyrazol-4-yl)methyl acetate;MLS000755750;MS-1922;SMR000337422;SCHEMBL9495787;CHEMBL1392034;BDBM81096;cid_3338947;DTXSID70391598;HMS2601N04;MFCD05669777;AKOS005107981;SR-01000308408;SR-01000308408-1;(4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methylacetate;acetic acid (3-keto-4-methyl-1-phenyl-pyrazolidin-4-yl)methyl ester;acetic acid (4-methyl-3-oxo-1-phenyl-4-pyrazolidinyl)methyl ester;(4-methyl-3-oxidanylidene-1-phenyl-pyrazolidin-4-yl)methyl ethanoate

Chemical Property of (4-Methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 248.11609238
• Heavy Atom Count: 18
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC1(CN(NC1=O)C2=CC=CC=C2)C