AG003ST1

96551-22-3 | 1-Boc-3-Hydroxymethylindole

AG003ST1

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CAS Number	96551-22-3
Catalog Number	AG003ST1(AGN-PC-0NFH7Y)
Chemical Name	1-Boc-3-Hydroxymethylindole
IUPAC Name	tert-butyl 3-(hydroxymethyl)indole-1-carboxylate
InChI	InChI=1S/C14H17NO3/c1-14(2,3)18-13(17)15-8-10(9-16)11-6-4-5-7-12(11)15/h4-8,16H,9H2,1-3H3
InChI Key	OOVPQKQFSDFRFA-UHFFFAOYSA-N
MDL Number	MFCD05864717
Molecular Formula	C14H17NO3
Molecular Weight	247.2897
SMILES	C(=O)(OC(C)(C)C)[N]2C1=CC=CC=C1C(=C2)CO
Synonyms	96551-22-3, 1-Boc-3-Hydroxymethylindole, tert-Butyl 3-(hydroxymethyl)-1H-indole-1-carboxylate, 3-(Hydroxymethyl)-1H-indole-1-carboxylic acid tert-butyl ester, N-Boc-3-(hydroxymethyl)indole, 3-HYDROXYMETHYLINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, 1-Boc-3-hydroxymethyl-indole, Tert-butyl 3-(hydroxymethyl)indole-1-carboxylate, AK-16451, 1H-Indole-1-carboxylic acid, 3-(hydroxymethyl)-, 1,1-dimethylethyl ester, 161646-52-2, 1-N-Boc-indole-3-methanol, hydroxymethylindolecarboxylate, SCHEMBL1520892, CTK5H8778, DTXSID80454365, OOVPQKQFSDFRFA-UHFFFAOYSA-N, 3-HYDROXYMETHYLINDOLE-1-CARBOXYLICACIDTERT-BUTYLESTER, ACT06508, ALBB-016769, BCP26926, KS-000008ZN, ZINC2563741, ZX-AN015458, ZX-AT009831, AB1294, ANW-52215, MFCD05864717, OR1698, SBB100267, AKOS005069607, CB-3719, CS-W005763, FCH1619509, MCULE-3171363917, RP14092, RP28780, TRA0012680, 1-N-Boc-3-(Hydroxymethyl)-1H-Indole, AJ-40858, AN-34817, BR-16451, CJ-09628, SC-27885, SY015985, AB0027907, AX8029945, DB-025981, ST2415178, TC-062964, AM20050374, BB 0261082, FT-0083492, FT-0651460, tert-butyl 3-(hydroxymethyl)indolecarboxylate, W9813, S-2262, t-butyl 3-(hydroxymethyl)-indole-1-carboxylate, MFCD05864717 (95+%), 1-(tert-butoxycarbonyl)-3-hydroxymethyl-1H-indole, 1-(tert-Butyloxycarbonyl)-3-(hydroxymethyl)indole, 11Z-0700, 3-(Hydroxymethyl)-1H-indole-1-carboxylic acid tert, I10-0528, J-524490, F2158-2280, 3-hydroxymethyl-indole-1-carboxylic acid tert-butyl ester, C14H17NO3, CID11075767, A15942, 10111-08-7,

Complexity	311
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.121g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	247.294g/mol
Monoisotopic Mass	247.121g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number