AG0012TC

137088-51-8 | 1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid

AG0012TC

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CAS Number	137088-51-8
Catalog Number	AG0012TC(AGN-PC-03IW2W)
Chemical Name	1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid
IUPAC Name	1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
InChI	InChI=1S/C14H17NO4/c1-14(2,3)19-13(18)15-10-7-5-4-6-9(10)8-11(15)12(16)17/h4-7,11H,8H2,1-3H3,(H,16,17)
InChI Key	QONNUMLEACJFME-UHFFFAOYSA-N
MDL Number	MFCD02682411
Molecular Formula	C14H17NO4
Molecular Weight	263.2891
SMILES	O=C(N1C(C(O)=O)CC2=C1C=CC=C2)OC(C)(C)C
Synonyms	137088-51-8, 133851-52-2, 1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid, 1-(tert-Butoxycarbonyl)indoline-2-carboxylic acid, N-BOC-INDOLINE-2-CARBOXYLIC ACID, 1-BOC-INDOLINE-2-CARBOXYLIC ACID, 1-[(tert-butoxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid, 1-(tert-Butoxycarbonyl)-2,3-dihydro-1H-indole-2-carboxylic acid, 1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic Acid, 1-N-Boc-indoline-2-carboxylic acid, AC1MDRM2, SCHEMBL705456, CTK4B8833, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid, QONNUMLEACJFME-UHFFFAOYSA-N, 6546AA, AB1214, ANW-66423, MFCD02682411, SBB102654, AKOS015912220, CB-3862, PS-3551, KS-000029Z0, DB-062998, RT-006137, AM20020409, CS-0028340, FT-0697575, FT-0735825, Indoline-2-carboxylic acid, N-BOC protected, ST24037689, Z5635, A-7877, 1-tert-butoxycarbonyl-indoline-2-carboxylic acid, 1-[(tert-butyl)oxycarbonyl]indoline-2-carboxylic acid, I14-35462, Z1925930174, 1-(tert-butoxycarbonyl)-2,3-dihydroindole-2-carboxylic acid, 1-(tert-Butoxycarbonyl)-2-indolinecarboxylic acid, AldrichCPR, 2,3-Dihydro-indole-1,2-dicarboxylic acid 1-tert-butyl ester, C14H17NO4, 1- -2-INDOLINECARBOXYLICACID, ACN-026331, CID2794663, AK-49369, (S)-1-(tert-Butoxycarbonyl)indoline-2-carboxylic acid, 1-(tert-Butoxycarbonyl)indoline-2-carboxylicacid, 1-tert-Butyl 2,3-dihydroindole-1,2-dicarboxylate, 144069-67-0,

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	2.3

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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