AG003M6U

6640-09-1 | 5-(Benzyloxy)-1H-indole-2-carboxylic acid

AG003M6U

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CAS Number	6640-09-1
Catalog Number	AG003M6U(AGN-PC-0JLT25)
Chemical Name	5-(Benzyloxy)-1H-indole-2-carboxylic acid
EC Number	229-652-6
IUPAC Name	5-phenylmethoxy-1H-indole-2-carboxylic acid
InChI	InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19)
InChI Key	MVCLSAMNMAWXFQ-UHFFFAOYSA-N
MDL Number	MFCD00047165
Molecular Formula	C16H13NO3
Molecular Weight	267.2793
SMILES	O=C(C(N1)=CC2=C1C=CC(OCC3=CC=CC=C3)=C2)O
Synonyms	5-(benzyloxy)-1H-indole-2-carboxylic acid, 6640-09-1, 5-Benzyloxyindole-2-carboxylic acid, 5-Benzyloxy-1H-indole-2-carboxylic acid, 1H-Indole-2-carboxylic acid, 5-(phenylmethoxy)-, CHEMBL24850, MLS000737620, MVCLSAMNMAWXFQ-UHFFFAOYSA-N, 5-(Phenylmethoxy)-1H-indole-2-carboxylic acid, B-1950, SMR000024621, 5-(phenylmethoxy)indole-2-carboxylic acid, NSC49096, 5-Benzyloxy-1H-indole-2-carboxylicacid, Maybridge1_005333, ACMC-209x2s, AC1L30PO, AC1Q5V1K, Oprea1_472789, Oprea1_872085, MLS000090003, SCHEMBL630515, CTK2F4434, HMS556K09, ZINC66629, DTXSID20216621, HMS2477M20, 5-benzyloxy-2-indolecarboxylic acid, ACT02526, KS-00003SV3, NSC30930, ZX-AT010150, EINECS 229-652-6, ANW-47138, BDBM50057498, CB-135, MFCD00047165, NSC-30930, NSC-49096, OR8026, SBB028588, STK662483, AKOS001656722, CCG-249958, COR0003214, MCULE-9799998143, RP06428, TRA0035510, 5-benzyloxy-1hindole-2-carboxylic acid, AJ-10206, AK-68404, BAS 01507723, BC652993, BR-68404, CC-21217, NCI60_004179, ST007964, TS-00869, AX8016290, DB-012421, ST2411667, TC-061081, 5-phenylmethoxy-1H-indole-2-carboxylic acid, FT-0620042, FT-0636221, W7739, A-8515, 1H-Indole-2-carboxylicacid, 5-(phenylmethoxy)-, 640B091, C-16769, I14-10610, A1678/0071619, 2,6-Dimethoxy-p-cresol, C16H13NO3, CID81146, AR-1G5438, MFCD00017289, ACN-041731, A1444, 6955-05-1,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.09g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	267.284g/mol
Monoisotopic Mass	267.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	62.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

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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