AG00BD5E

24370-75-0 | 7-BENZYLOXY-1H-INDOLE-3-CARBOXYLIC ACID

AG00BD5E

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CAS Number	24370-75-0
Catalog Number	AG00BD5E(AGN-PC-051M5L)
Chemical Name	7-BENZYLOXY-1H-INDOLE-3-CARBOXYLIC ACID
IUPAC Name	7-phenylmethoxy-1H-indole-3-carboxylic acid
InChI	InChI=1S/C16H13NO3/c18-16(19)13-9-17-15-12(13)7-4-8-14(15)20-10-11-5-2-1-3-6-11/h1-9,17H,10H2,(H,18,19)
InChI Key	UTKFPHSPQYCKBX-UHFFFAOYSA-N
MDL Number	MFCD07369965
Molecular Formula	C16H13NO3
Molecular Weight	267.2793
SMILES	OC(=O)C1=CNC2=C1C=CC=C2OCC1=CC=CC=C1
Synonyms	24370-75-0, 7-(benzyloxy)-1h-indole-3-carboxylic acid, 7-Benzyloxy-1H-indole-3-carboxylic acid, 7-phenylmethoxy-1H-indole-3-carboxylic acid, Q-101948, 7-Benzyloxyindole-3-carboxylic acid, 7-Benzyloxy-1H-indole-3-carboxylicacid, SCHEMBL16714058, CTK0J9852, DTXSID00649670, 1808AB, ANW-54541, MFCD07369965, ZINC12650045, AKOS015855979, AC-9168, AN-7302, AJ-62920, AK-68410, AS-38019, AB0076659, AX8032837, DB-031760, TC-061082, A5027, FT-0687249, X-3095, 1H-Indole-3-carboxylicacid, 7-(phenylmethoxy)-, 370B750, I14-10617, C16H13NO3, CB-403, 7-(Benzyloxy)-1H-indole-3-carboxylicacid,

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

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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