AG004XWC

832730-58-2 | 2-(1,3-Dihydroxypropan-2-yl)isoindoline-1,3-dione

AG004XWC

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CAS Number	832730-58-2
Catalog Number	AG004XWC(AGN-PC-0GAMV5)
Chemical Name	2-(1,3-Dihydroxypropan-2-yl)isoindoline-1,3-dione
IUPAC Name	2-(1,3-dihydroxypropan-2-yl)isoindole-1,3-dione
InChI	InChI=1S/C11H11NO4/c13-5-7(6-14)12-10(15)8-3-1-2-4-9(8)11(12)16/h1-4,7,13-14H,5-6H2
InChI Key	NYNGWADTWJVQBE-UHFFFAOYSA-N
MDL Number	MFCD00686639
Molecular Formula	C11H11NO4
Molecular Weight	221.2093
SMILES	OCC(N1C(=O)C2=C(C=CC=C2)C1=O)CO
Synonyms	2-(1,3-Dihydroxypropan-2-yl)isoindoline-1,3-dione, 832730-58-2, 1H-Isoindole-1,3(2H)-dione, 2-[2-hydroxy-1-(hydroxymethyl)ethyl]-, 2-phthalimidopropane-1,3-diol, SCHEMBL16414776, CTK3D3229, DTXSID30734866, NYNGWADTWJVQBE-UHFFFAOYSA-N, ZINC83695397, AKOS014649758, CS-W000300, AJ-126035, 4CH-023072, ST24039034, 2-(1,3-dihydroxypropan-2-yl)isoindoline -1,3-dione, 2-(1,3-Dihydroxypropan-2-yl)-1H-isoindole-1,3(2H)-dione, 2-(1,3-dihydroxypropan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione,

Complexity	276
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.069g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	221.212g/mol
Monoisotopic Mass	221.069g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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