AG0037TS

221352-46-1 | (R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid

AG0037TS

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CAS Number	221352-46-1
Catalog Number	AG0037TS(AGN-PC-053B5O)
Chemical Name	(R,S)-Boc-1,3-dihydro-2h-isoindole carboxylic acid
IUPAC Name	2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-1-carboxylic acid
InChI	InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-9-6-4-5-7-10(9)11(15)12(16)17/h4-7,11H,8H2,1-3H3,(H,16,17)
InChI Key	BBMCBMREDOQCDU-UHFFFAOYSA-N
MDL Number	MFCD01321007
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
SMILES	OC(=O)C1N(Cc2c1cccc2)C(=O)OC(C)(C)C
Synonyms	221352-46-1, (R,S)-BOC-1,3-DIHYDRO-2H-ISOINDOLE CARBOXYLIC ACID, 1,3-Dihydro-isoindole-1,2-dicarboxylic acid 2-tert-butyl ester, Boc-(R,S)-1,3-dihydro-2H-isoindole carboxylic acid, 1,3-Dihydroisoindole-1,2-dicarboxylic acid 2-tert-butyl ester, 2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-dihydroisoindole-1-carboxylic Acid, J-502305, (R)-2-(tert-Butoxycarbonyl)isoindoline-1-carboxylic acid, 1212086-74-2, AC1MBSHV, 2-tert-butoxycarbonylisoindoline-1-carboxylic acid, SCHEMBL205299, CTK8B4021, DTXSID60373166, BBMCBMREDOQCDU-UHFFFAOYSA-N, 1,3-Dihydro-isoindole-1,2-dicarboxylicacid2-tert-butylester, 2-boc-isoindoline-1-carboxylic acid, N-Boc-isoindoline-1-carboxylic acid, ANW-43707, MFCD01321007, AKOS016001694, CB-3559, AC-30554, ACM221352461, AN-29612, AS-31211, SC-49282, RT-011628, 4CH-023728, A4759, CS-0039846, FT-0080967, FT-0649802, ST24039775, B-7963, D57027, 2-N-Boc-1,3-dihydro-2H-isoindolecarboxylic acid, 352R461, N-BOC-1,3-dihydro-2H-isoindol-1-carboxylic acid, N-BOC-1,3-dihydro-2H-isoindole-1-carboxylic acid, (R,S)-BOC-1,3-DIHYDRO-2H- ISOINDOLE CARBOXYLIC ACI, 2-(tert-Butoxycarbonyl)-2,3-dihydro-1H-isoindole-1-carboxylic acid, 1,3-Dihydro-isoindole-1,2-dicarboxylic acid 2-tert-butyl ester, AldrichCPR, racemic 1,3-dihydro-isoindole-1,2-dicarboxylic acid 2-tert-butyl ester, 2-(tert-butoxycarbonyl)isoindoline-1-carboxylic acid, CID2755967, (R,S)-Boc-1,3-Dihydro-2H-isoindolecarboxylic acid, 2-(tert-Butoxycarbonyl)isoindoline-1-carboxylicacid, tert-Butyl 1-(hydroperoxymethyl)isoindoline-2-carboxylate, 2H-Isoindole-1,2-dicarboxylic acid, 1,3-dihydro-, 2-(1,1-dimethylethyl) ester,

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	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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