AG0091JE

1044764-69-3 | 2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid

AG0091JE

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CAS Number	1044764-69-3
Catalog Number	AG0091JE(AGN-PC-0WALS2)
Chemical Name	2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-4-carboxylic acid
InChI	InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-9-5-4-6-10(12(16)17)11(9)8-15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChI Key	TWSXZRDGGYYYOB-UHFFFAOYSA-N
MDL Number	MFCD10700129
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
SMILES	O=C(C1=CC=CC2=C1CN(C(OC(C)(C)C)=O)C2)O
Synonyms	1044764-69-3, 2-(tert-Butoxycarbonyl)isoindoline-4-carboxylic acid, N-Boc-isoindoline-4-carboxylic acid, AK140800, SCHEMBL15893735, DTXSID80725441, MFCD10700129, ZINC66055072, AKOS022173080, AS-36282, AB0074803, AJ-115748, AX8266650, CS-0055022, A-1862, Z2574910682, 2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindole-4-carboxylic acid, 2-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-isoindole-4-carboxylic acid,

Complexity	374
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	263.116g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	263.293g/mol
Monoisotopic Mass	263.116g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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