2-(2,6-dioxooxan-3-yl)isoindole-1,3-dione

2-(2,6-dioxooxan-3-yl)isoindole-1,3-dione

CAS: 3343-28-0

Formula: C13H9NO5

SMILES: O=C1N(C2CCC(=O)OC2=O)C(=O)C2=CC=CC=C12

IUPAC: 2-(2,6-dioxooxan-3-yl)-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1/C13H9NO5/c15-10-6-5-9(13(18)19-10)14-11(16)7-3-1-2-4-8(7)12(14)17/h1-4,9H,5-6H2

Composition: C (60.24%), H (3.50%), N (5.40%), O (30.86%)

Molar Mass: 259.217

Atom Count: 28

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	259.048072394
Formal Charge	0
FSP3	0.23
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ICDLEMPZXFCQEB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.38
Topological Polar Surface Area	80.75
Polarizability	23.6
Ring Count	3
Rotatable Bond Count	1

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97%	<7 Days	3343-28-0		$61.71-$215.99$61.71$107.53$215.99