AG00ANLS

149353-71-9 | 2-(tert-Butoxycarbonyl)isoindoline-5-carboxylic acid

AG00ANLS

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CAS Number	149353-71-9
Catalog Number	AG00ANLS(AGN-PC-0Q37FQ)
Chemical Name	2-(tert-Butoxycarbonyl)isoindoline-5-carboxylic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-5-carboxylic acid
InChI	InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-7-10-5-4-9(12(16)17)6-11(10)8-15/h4-6H,7-8H2,1-3H3,(H,16,17)
InChI Key	WUVSWGUHNFPCCI-UHFFFAOYSA-N
MDL Number	MFCD08234862
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
SMILES	C(C)(C)(C)OC(=O)N1CC2=CC=C(C=C2C1)C(=O)O
Synonyms	149353-71-9, 2-(TERT-BUTOXYCARBONYL)ISOINDOLINE-5-CARBOXYLIC ACID, 2-[(TERT-BUTOXY)CARBONYL]-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID, SCHEMBL1650164, DTXSID80586079, WUVSWGUHNFPCCI-UHFFFAOYSA-N, ZINC8569657, 1292AJ, MFCD08234862, AKOS002254758, MB05817, MCULE-9546059292, N-t-Butoxycarbonyl-5-carboxyisoindoline, NE23152, CS-0085238, FT-0717948, ST50210564, KS-00002470, 2-[(tert-butyl)oxycarbonyl]isoindoline-5-carboxylic acid, Z1704732592, 2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-5-carboxylic acid, 2-{[(1,1-dimethylethyl)oxy]carbonyl}-2,3-dihydro-1H-isoindole-5-carboxylic acid, 2H-Isoindole-2,5-dicarboxylic acid, 1,3-dihydro-, 2-(1,1-dimethylethyl) ester, C14H17NO4, CS-4247, 2-BOC-ISOINDOLINE-5-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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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