AG00GL6W

800401-91-6 | 5-Methyl-6-azaindole-2-carboxylic acid

AG00GL6W

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CAS Number	800401-91-6
Catalog Number	AG00GL6W(AGN-PC-0D3L8M)
Chemical Name	5-Methyl-6-azaindole-2-carboxylic acid
IUPAC Name	5-methyl-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid
InChI	InChI=1S/C9H8N2O2/c1-5-2-6-3-7(9(12)13)11-8(6)4-10-5/h2-4,11H,1H3,(H,12,13)
InChI Key	NBCQHRXBLPIFNR-UHFFFAOYSA-N
MDL Number	MFCD18381017
Molecular Formula	C9H8N2O2
Molecular Weight	176.1720
SMILES	O=C(C(N1)=CC2=C1C=NC(C)=C2)O
Synonyms	800401-91-6, 5-Methyl-1H-pyrrolo[2,3-c]pyridine-2-carboxylic acid, SCHEMBL2107838, 1H-Pyrrolo[2,3-c]pyridine-2-carboxylic acid, 5-methyl-, MFCD18381017, ZINC95919915, FCH1162658, 5-Methyl-6-azaindole-2-carboxylic acid, AK206051, AS-49455, W-3046,

Complexity	220
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	2
Isotope Atom Count	0
Molecular Weight	176.175g/mol
Monoisotopic Mass	176.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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