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2-(3,3-dimethyl-2-oxobutyl)isoindole-1,3-dione

2-(3,3-dimethyl-2-oxobutyl)isoindole-1,3-dione

CAS: 56658-35-6

Formula: C14H15NO3

SMILES: CC(C)(C)C(=O)CN1C(=O)C2=CC=CC=C2C1=O

IUPAC: 2-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C14H15NO3/c1-14(2,3)11(16)8-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3

Composition: C (68.56%), H (6.16%), N (5.71%), O (19.57%)

Molar Mass: 245.278

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.105193347
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HAFOAXRAJBJRMB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.55
Topological Polar Surface Area 54.45
Polarizability 25.26
Ring Count 2
Rotatable Bond Count 3

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