AG000IG0

119248-43-0 | 3-(5-AZAINDOLE)CARBOXYLIC ACID

AG000IG0

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CAS Number	119248-43-0
Catalog Number	AG000IG0(AGN-PC-04Q5ZD)
Chemical Name	3-(5-AZAINDOLE)CARBOXYLIC ACID
IUPAC Name	1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI	InChI=1S/C8H6N2O2/c11-8(12)6-4-10-7-1-2-9-3-5(6)7/h1-4,10H,(H,11,12)
InChI Key	KFXCBDIUQIOENT-UHFFFAOYSA-N
MDL Number	MFCD08690129
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	O=C(C1=CNC2=C1C=NC=C2)O
Synonyms	1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid, 119248-43-0, 5-Azaindole-3-carboxylic acid, 1H-Pyrrolo[3,2-c]pyridine-3-carboxylicacid, 3-(5-azaindole)carboxylic acid, 3-carboxy-5-azaindole, ACMC-20a2fg, SCHEMBL2817519, CTK0H3263, DTXSID00646629, HIN2130, KS-000006TO, ANW-54074, CA-201, MFCD08690129, WT1433, ZINC95483606, AKOS006288800, CS-W019711, FS-3475, PB25084, QC-2673, AC-25277, AJ-66389, AK-45852, SC-21584, AB0068782, ST2415537, TC-142819, 4CH-015363, FT-0722676, Z3956, Q-2792, 119248-43-0 1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid, C8H6N2O2,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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