AG00IB4F

6297-93-4 | 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 1,1-dimethylethylester

AG00IB4F

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CAS Number	6297-93-4
Catalog Number	AG00IB4F(AGN-PC-0T6S85)
Chemical Name	2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-, 1,1-dimethylethylester
IUPAC Name	tert-butyl 2-(1,3-dioxoisoindol-2-yl)acetate
InChI	InChI=1S/C14H15NO4/c1-14(2,3)19-11(16)8-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7H,8H2,1-3H3
InChI Key	LAFNOENFXFPJKD-UHFFFAOYSA-N
MDL Number	MFCD00023082
Molecular Formula	C14H15NO4
Molecular Weight	261.2732
SMILES	O=C1N(C(C2=CC=CC=C12)=O)CC(=O)OC(C)(C)C
Synonyms	6297-93-4, PHT-GLY-OTBU, tert-Butyl 2-(1,3-dioxoisoindolin-2-yl)acetate, tert-butyl 2-(1,3-dioxoisoindol-2-yl)acetate, tert-butyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate, NSC45837, AC1Q5XLS, AC1L647W, CHEMBL3918327, Phthaloyl-glycine tertbutyl ester, ZINC397490, MFCD00023082, NSC-45837, NSC126801, Phthaloyl-glycine tert inverted exclamation mark currencybutyl ester, AKOS001282724, DS-9386, MCULE-4673047659, NSC-126801, AJ-21660, AK158684, SC-09561, ZB012708, N-PHTHALOYLGLYCINE TERT.-BUTYL ESTER, FT-0636077, 297P934, Z18271363, AR-1L6126, CID239996, ACN-033238, tert-butyl(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)acetate, 6958-68-5,

Complexity	386
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.1g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.277g/mol
Monoisotopic Mass	261.1g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	63.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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