AG0000R1

1000576-51-1 | 1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester

AG0000R1

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CAS Number	1000576-51-1
Catalog Number	AG0000R1(AGN-PC-05SPO7)
Chemical Name	1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester
IUPAC Name	methyl 3-cyano-1H-indole-6-carboxylate
InChI	InChI=1S/C11H8N2O2/c1-15-11(14)7-2-3-9-8(5-12)6-13-10(9)4-7/h2-4,6,13H,1H3
InChI Key	YBZVEPCMUWGFNW-UHFFFAOYSA-N
MDL Number	MFCD09878564
Molecular Formula	C11H8N2O2
Molecular Weight	200.1934
SMILES	O=C(C1=CC2=C(C=C1)C(C#N)=CN2)OC
Synonyms	1000576-51-1, methyl 3-cyano-1H-indole-6-carboxylate, Methyl 3-cyanoindole-6-carboxylate, C11H8N2O2, MFCD09878564, W-204332, 1H-Indole-6-carboxylic acid, 3-cyano-, methyl ester, CTK3J8468, DTXSID10653349, ZINC30678471, AKOS015836407, RP07494, AJ-84104, AS-36498, CJ-17760, AX8282690, TR-039735, 3-Cyanoindole-6-carboxylic acid methyl ester, FT-0685616, Y6755, 3-cyano-1H-Indole-6-carboxylic acid methyl ester, 1H-Indole-6-carboxylicacid, 3-cyano-, methyl ester, J-522170, Z2738925320,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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