AG007X4G

103781-89-1 | METHYL 6-BENZYLOXYINDOLE-2-CARBOXYLATE

AG007X4G

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CAS Number	103781-89-1
Catalog Number	AG007X4G(AGN-PC-0LFZ7P)
Chemical Name	METHYL 6-BENZYLOXYINDOLE-2-CARBOXYLATE
IUPAC Name	methyl 6-phenylmethoxy-1H-indole-2-carboxylate
InChI	InChI=1S/C17H15NO3/c1-20-17(19)16-9-13-7-8-14(10-15(13)18-16)21-11-12-5-3-2-4-6-12/h2-10,18H,11H2,1H3
InChI Key	GSULHLQFRMLEEO-UHFFFAOYSA-N
MDL Number	MFCD04967027
Molecular Formula	C17H15NO3
Molecular Weight	281.3059
SMILES	O=C(C(N1)=CC2=C1C=C(OCC3=CC=CC=C3)C=C2)OC
Synonyms	methyl 6-(benzyloxy)-1H-indole-2-carboxylate, 103781-89-1, METHYL 6-BENZYLOXYINDOLE-2-CARBOXYLATE, methyl 6-phenylmethoxy-1H-indole-2-carboxylate, 1H-Indole-2-carboxylicacid, 6-(phenylmethoxy)-, methyl ester, ACMC-20a7pe, AC1NFWM0, AC1Q43NE, 6-Benzyloxy-1H-indole-2-carboxylic acid methyl ester, SCHEMBL8406972, CTK4A2381, DTXSID90405823, GSULHLQFRMLEEO-UHFFFAOYSA-N, ACT10649, ALBB-007610, ZINC2534135, 0898AA, ANW-60912, MFCD04967027, SBB048923, STK504662, AKOS000124004, MCULE-7949783739, RTR-059824, AJ-38597, AS-38184, AB0076832, TR-059824, CS-0054137, methyl 6-(phenylmethoxy)indole-2-carboxylate, EN300-44171, X-3066, Z451350436, C17H15NO3, ZINC02534135, CID4715068,

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	3.9

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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