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

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

CAS: 80336-03-4

Formula: C13H16N2O3

SMILES: CC(=O)OCC1(C)CN(NC1=O)C1=CC=CC=C1

IUPAC: (4-methyl-3-oxo-1-phenylpyrazolidin-4-yl)methyl acetate

InChI: InChI=1/C13H16N2O3/c1-10(16)18-9-13(2)8-15(14-12(13)17)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,14,17)

Composition: C (62.89%), H (6.50%), N (11.28%), O (19.33%)

Molar Mass: 248.282

Atom Count: 34

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 248.116092383
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey OGBYAZKZKCZBGR-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.09
Topological Polar Surface Area 58.64
Polarizability 25.62
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 80336-03-4 $51.35-$86.31$51.35$63.37$86.31
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