AG00256I

177201-79-5 | 1H-Indole-1,3-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester

AG00256I

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CAS Number	177201-79-5
Catalog Number	AG00256I(AGN-PC-02INCW)
Chemical Name	1H-Indole-1,3-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid
InChI	InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-8-10(12(16)17)9-6-4-5-7-11(9)15/h4-7,10H,8H2,1-3H3,(H,16,17)
InChI Key	MVCIMEGPCAVHOK-UHFFFAOYSA-N
MDL Number	MFCD08059283
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
SMILES	O=C(C1CN(C(OC(C)(C)C)=O)C2=C1C=CC=C2)O
Synonyms	177201-79-5, 1-(tert-Butoxycarbonyl)indoline-3-carboxylic acid, 1-BOC-2,3-DIHYDRO-INDOLE-3-CARBOXYLIC ACID, 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-3-carboxylic acid, 1H-Indole-1,3-dicarboxylic acid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester, 1-N-Boc-indoline-3-carboxylic acid, SCHEMBL3406623, CTK4D6431, DTXSID80599285, MVCIMEGPCAVHOK-UHFFFAOYSA-N, ALBB-022749, ZX-AN021265, ZX-CM010498, 9301AA, MFCD08059283, AKOS015998091, CB-3863, AK-68562, AS-44772, BBV-43556455, AB0086054, AX8024488, DB-065181, AM20120461, CS-0082134, FT-0765050, Y-3306, 1-(tert-butoxycarbonyl)indoline-3(R,S)carboxylic acid, 1-(Tert-butoxycarbonyl)indoline-3(R,S)-carboxylic acid, F9994-0707, 2,3-dihydro-indole-1,3-dicarboxylic acid 1-tert-butyl ester, 1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-indole-3-carboxylic acid, 1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indole-3-carboxylic acid, 1H-Indole-1,3-dicarboxylicacid, 2,3-dihydro-, 1-(1,1-dimethylethyl) ester, C14H17NO4, 1-(tert-Butoxycarbonyl)indoline-3-carboxylicacid, 1-(tert-butoxycarbonyl)-3-indolinecarboxylic acid, 133851-52-2,

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	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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