AG0037OW

169789-47-3 | 5-Ethoxy-1H-indole-3-carbaldehyde

AG0037OW

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CAS Number	169789-47-3
Catalog Number	AG0037OW(AGN-PC-0LH593)
Chemical Name	5-Ethoxy-1H-indole-3-carbaldehyde
IUPAC Name	5-ethoxy-1H-indole-3-carbaldehyde
InChI	InChI=1S/C11H11NO2/c1-2-14-9-3-4-11-10(5-9)8(7-13)6-12-11/h3-7,12H,2H2,1H3
InChI Key	MSEZSIQZGXBEDM-UHFFFAOYSA-N
MDL Number	MFCD07364715
Molecular Formula	C11H11NO2
Molecular Weight	189.2105
SMILES	C(C)OC=1C=C2C(=CNC2=CC1)C=O
Synonyms	5-ETHOXY-1H-INDOLE-3-CARBALDEHYDE, 169789-47-3, 5-Ethoxyindole-3-carboxaldehyde, 5-Ethoxy-3-indolecarboxaldehyde, 1H-Indole-3-carboxaldehyde, 5-ethoxy-, 5-ethoxyindole-3-carbaldehyde, PubChem8554, AC1NGP8W, akos jy2083524, 5-ethoxyindole-3-aldehyde, SCHEMBL4607814, CTK4D3398, KS-00000IZJ, DTXSID20406464, AM784, ACT03559, ZINC8325047, 5-ethoxy-1H-indole-3-carboxaldehyde, ANW-50858, CE-043, MFCD07364715, SBB066662, AKOS004119529, 1H-Indole-3-carboxaldehyde,5-ethoxy-, AC-8791, AN-7655, CS-W005387, DS-0188, RTR-007431, VI30444, AJ-57452, AK-21809, BR-21809, SY039682, AB0009797, DB-001311, ST2411990, TL8001326, TR-007431, 4CH-003294, FT-0659307, MFCD07364715 (95%), 5-Ethoxy-1H-indole-3-carbaldehyde, AldrichCPR, E-6000, S-4667, 789E473, A811143, I10-0155, C11H11NO2, CID4777881,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.214g/mol
Monoisotopic Mass	189.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	42.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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