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1,3-dioxoisoindol-2-yl cyclobutanecarboxylate

1,3-dioxoisoindol-2-yl cyclobutanecarboxylate

CAS: 1872262-64-0

Formula: C13H11NO4

SMILES: O=C(ON1C(=O)C2=C(C=CC=C2)C1=O)C1CCC1

IUPAC: 1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl cyclobutanecarboxylate

InChI: InChI=1S/C13H11NO4/c15-11-9-6-1-2-7-10(9)12(16)14(11)18-13(17)8-4-3-5-8/h1-2,6-8H,3-5H2

Composition: C (63.67%), H (4.52%), N (5.71%), O (26.10%)

Molar Mass: 245.234

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.068807838
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey LHNCFRQUPDDSEO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.23
Topological Polar Surface Area 63.68
Polarizability 23.45
Ring Count 3
Rotatable Bond Count 3

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