AG000HTU

1190319-18-6 | 4-Azaindole-7-carboxylic acid

AG000HTU

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CAS Number	1190319-18-6
Catalog Number	AG000HTU(AGN-PC-07ZRTU)
Chemical Name	4-Azaindole-7-carboxylic acid
IUPAC Name	1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
InChI	InChI=1S/C8H6N2O2/c11-8(12)5-1-3-9-6-2-4-10-7(5)6/h1-4,10H,(H,11,12)
InChI Key	YBYWIZUWOGPUPB-UHFFFAOYSA-N
MDL Number	MFCD12963157
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	O=C(C1=C(NC=C2)C2=NC=C1)O
Synonyms	1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, 1190319-18-6, 4-AZAINDOLE-7-CARBOXYLIC ACID, AK119784, SCHEMBL16150881, DTXSID20676847, YBYWIZUWOGPUPB-UHFFFAOYSA-N, 3232AA, MFCD12963157, ZINC44713034, AKOS016010829, CS-W007232, DS-5764, FCH1146857, PB18015, QC-2842, AJ-110036, AX8245200, DB-061497, FT-0656143, A26199, W-1692, S14-1692, C8H6N2O2, 1H-Pyrrolo[3,2-b]pyridine-7-carboxylicacid,

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	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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