AG003TRP

5680-61-5 | Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonate

AG003TRP

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CAS Number	5680-61-5
Catalog Number	AG003TRP(AGN-PC-0SMFAI)
Chemical Name	Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonate
EC Number	227-138-6
IUPAC Name	diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate
InChI	InChI=1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3
InChI Key	SZNGBHWKVWEBKW-UHFFFAOYSA-N
MDL Number	MFCD00065025
Molecular Formula	C15H15NO6
Molecular Weight	305.2827
SMILES	O=C(OCC)C(N1C(C2=CC=CC=C2C1=O)=O)C(OCC)=O
UNII	OG2E8O4WBR
Synonyms	5680-61-5, Diethyl 2-phthalimidomalonate, Diethyl phthalimidomalonate, Ethyl phthalimidomalonate, Diethyl 2-(1,3-dioxoisoindolin-2-yl)malonate, Propanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl ester, UNII-OG2E8O4WBR, Phthalimidomalonic Acid Diethyl Ester, OG2E8O4WBR, C15H15NO6, SZNGBHWKVWEBKW-UHFFFAOYSA-N, 2-Isoindolinemalonic acid, 1,3-dioxo-, diethyl ester, Propanedioic acid, 2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, 1,3-diethyl ester, EINECS 227-138-6, NSC 12023, ACMC-209luc, AI3-18227, DiethylPhthalimidomalonate, diethyl phthalimido-malonate, Diethyl2-phthalimidomalonate, AC1Q63UZ, AC1L2Y36, SCHEMBL3625848, DTXSID2063975, CTK1H1486, Diethyl phthalimidomalonate, 98%, KS-000014SM, NSC12023, ZINC1871091, 5782AE, ANW-32578, MFCD00065025, NSC-12023, NSC165971, SBB058271, STK279557, AKOS005426242, MCULE-1312643513, NSC-165971, CC-26629, CJ-30682, DB-052968, TR-019898, FT-0624907, P1180, diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate, 2-Isoindolinemalonic acid,3-dioxo-, diethyl ester, C-19016, 1,3-Dioxo-2-isoindolinemalonic acid, diethyl ester, diethyl 2-(1,3-dioxoisoindolin-2-yl)propanedioate, 1,3-diethyl 2-(1,3-dioxoisoindol-2-yl)propanedioate, I14-27396, 2-(1,3-Dioxoisoindoline-2-yl)malonic acid diethyl ester, diethyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanedioate, diethyl 2-(1,3-dioxobenzo[c]azolin-2-yl)propane-1,3-dioate, Diethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)malonate #, Propanedioic acid,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl ester, 29097-77-6, CID79760, AR-1I9999, C15-H15-N-O6, PHTHALIMIDOMALONICACIDDIETHYLESTER, 58473-42-0,

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	305.09g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	305.286g/mol
Monoisotopic Mass	305.09g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	90A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number