AG008RPX

104291-83-0 | 6-CYANO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER

AG008RPX

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CAS Number	104291-83-0
Catalog Number	AG008RPX(AGN-PC-0LWY1Y)
Chemical Name	6-CYANO-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
IUPAC Name	methyl 6-cyano-1H-indole-2-carboxylate
InChI	InChI=1S/C11H8N2O2/c1-15-11(14)10-5-8-3-2-7(6-12)4-9(8)13-10/h2-5,13H,1H3
InChI Key	VDOVWALYWVUEQR-UHFFFAOYSA-N
MDL Number	MFCD07375393
Molecular Formula	C11H8N2O2
Molecular Weight	200.1934
SMILES	C(#N)C1=CC=C2C(=C1)[NH]C(=C2)C(=O)OC
Synonyms	methyl 6-cyano-1H-indole-2-carboxylate, 104291-83-0, 6-cyano-1h-indole-2-carboxylic acid methyl ester, AK-40086, AC1OG68M, SCHEMBL1307519, CTK4A2918, KS-00000ISB, DTXSID20427997, VDOVWALYWVUEQR-UHFFFAOYSA-N, ALBB-007595, MIX-0111, ZINC4234989, ZX-AN007115, ZX-BK001864, ANW-50043, BBL022466, MFCD07375393, STK504648, AKOS005144065, 6-Cyanindol-2-carbonsaeure-Methylester, DS-1053, FS-3133, MCULE-1545747787, AJ-49209, BR-40086, CJ-11629, AB0034537, AX8181419, BB0254321, TR-033905, 4CH-009538, 6-cyanoindole-2-carboxylic acid methyl ester, BB 0254321, CS-0043066, ST24031167, X8708, S-6094, 1H-Indole-2-carboxylic acid, 6-cyano-, methyl ester, C11H8N2O2, ZINC04234989, CID7141888, Methyl6-cyano-1H-indole-2-carboxylate,

Complexity	307
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.059g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.197g/mol
Monoisotopic Mass	200.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	65.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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