AG00EKZF

61545-36-6 | 4-BENZYLOXY-6-INDOLE CARBOXYLIC ACID METHYL ESTER

AG00EKZF

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CAS Number	61545-36-6
Catalog Number	AG00EKZF(AGN-PC-0NA0Q6)
Chemical Name	4-BENZYLOXY-6-INDOLE CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 4-phenylmethoxy-1H-indole-6-carboxylate
InChI	InChI=1S/C17H15NO3/c1-20-17(19)13-9-15-14(7-8-18-15)16(10-13)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
InChI Key	UFOBJRJIGGDCOI-UHFFFAOYSA-N
MDL Number	MFCD11110567
Molecular Formula	C17H15NO3
Molecular Weight	281.3059
SMILES	COC(=O)C1=CC2=C(C=CN2)C(=C1)OCC3=CC=CC=C3
Synonyms	Methyl 4-(benzyloxy)-1H-indole-6-carboxylate, 61545-36-6, 4-Benzloxy-6-indole carboxylic acid methyl ester, Methyl 4-benzyloxyindole-6-carboxyate, Methyl 4-phenylmethoxy-1H-indole-6-carboxylate, SCHEMBL6868530, CTK2D7808, DTXSID10444491, CM-491, MFCD11110567, ZINC44184904, AKOS022172893, Methyl 4-Benzyloxy-indole-6-carboxylate, AK141041, QC-10789, AB0098258, AJ-109497, AX8281245, DB-072980, 4CH-003434, CS-0038299, FT-0708459, W-2903, 4-benzyloxy-6-indole carboxylic acid methyl ester, 1H-Indole-6-carboxylic acid, 4-(phenylmethoxy)-, methyl ester, 4-BENZYLOXY-1H-INDOLE-6-CARBOXYLIC ACID METHYL ESTER, CID10755260,

Complexity	354
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.105g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	281.311g/mol
Monoisotopic Mass	281.105g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	51.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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