AG008XQP

108128-12-7 | Methyl 6-azaindole-3-carboxylate

AG008XQP

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CAS Number	108128-12-7
Catalog Number	AG008XQP(AGN-PC-0AC17N)
Chemical Name	Methyl 6-azaindole-3-carboxylate
IUPAC Name	methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate
InChI	InChI=1S/C9H8N2O2/c1-13-9(12)7-4-11-8-5-10-3-2-6(7)8/h2-5,11H,1H3
InChI Key	WLVQYRDGALHYAR-UHFFFAOYSA-N
MDL Number	MFCD16036494
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C1=CNC2=C1C=CN=C2)OC
Synonyms	Methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate, 108128-12-7, Methyl 6-azaindole-3-carboxylate, AK-68420, SCHEMBL1607800, CTK3J5160, DTXSID70716727, HIN2099, WLVQYRDGALHYAR-UHFFFAOYSA-N, KS-00000P6M, ANW-44612, MFCD16036494, WT1443, ZINC77031804, AKOS015999201, FCH1180281, FS-3496, MP-1740, QC-2943, SB13982, SC-14696, AB0069252, AX8218448, RT-002372, 4CH-010910, CS-0043710, ST24025139, Z3867, 1h-pyrrolo[2,3-c]pyridine-3-carboxylic acid methyl ester, 108128-12-7 methyl 1H-pyrrolo[2,3-c]pyridine-3-carboxylate, C9H8N2O2, 1H-Pyrrolo[2,3-c]pyridine-3-carboxylic acid, methyl ester,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.059g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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