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3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione

3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione

CAS: 1267618-58-5

Formula: C12H13NO3

SMILES: COC1=CC=CC(CC2CC(=O)NC2=O)=C1

IUPAC: 3-[(3-methoxyphenyl)methyl]pyrrolidine-2,5-dione

InChI: InChI=1/C12H13NO3/c1-16-10-4-2-3-8(6-10)5-9-7-11(14)13-12(9)15/h2-4,6,9H,5,7H2,1H3,(H,13,14,15)

Composition: C (65.74%), H (5.98%), N (6.39%), O (21.89%)

Molar Mass: 219.24

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 219.089543283
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XWAGEMLECOTHCE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.02
Topological Polar Surface Area 55.4
Polarizability 22.62
Ring Count 2
Rotatable Bond Count 3

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