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1,3-dioxoisoindol-2-yl 2-methylpropanoate

1,3-dioxoisoindol-2-yl 2-methylpropanoate

CAS: 1631179-23-1

Formula: C12H11NO4

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

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

InChI: InChI=1S/C12H11NO4/c1-7(2)12(16)17-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-7H,1-2H3

Composition: C (61.80%), H (4.75%), N (6.01%), O (27.44%)

Molar Mass: 233.223

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.068807838
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey RHRVSKAAIXMYLC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.43
Topological Polar Surface Area 63.68
Polarizability 22.33
Ring Count 2
Rotatable Bond Count 3

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