AG008FQ9

860496-20-4 | 4-Azaindole-3-carboxylic acid

AG008FQ9

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CAS Number	860496-20-4
Catalog Number	AG008FQ9(AGN-PC-020ZOA)
Chemical Name	4-Azaindole-3-carboxylic acid
IUPAC Name	1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
InChI	InChI=1S/C8H6N2O2/c11-8(12)5-4-10-6-2-1-3-9-7(5)6/h1-4,10H,(H,11,12)
InChI Key	VAQUJLYRUQNSEV-UHFFFAOYSA-N
MDL Number	MFCD11559014
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	C(=O)(O)c1c2c([nH]c1)cccn2
Synonyms	860496-20-4, 1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid, 4-Azaindole-3-carboxylic acid, 1H-Pyrrolo[3,2-b]pyridine-3-carboxylicacid, 1H-pyrrolo [3,2-b] pyridine-3-carboxylic acid, 4-Azaindole3-carboxylic acid, SCHEMBL2816680, CTK3E7572, DTXSID80595944, HIN1566, VAQUJLYRUQNSEV-UHFFFAOYSA-N, 4-AZAINDOLE3-CARBOXYLICACID, EBD37403, ANW-44782, CA-183, CL3445, MFCD11559014, WT1426, ZINC20596503, AKOS006228500, CS-W019708, FS-3476, PB20605, QC-2838, AC-23315, AJ-77964, AK-36589, BC681974, SC-49197, AB0065197, TC-133527, 4CH-000044, FT-0648735, ST24028896, Z5206, C-8223, A841539, J-504779, S14-1772, 860496-20-4 1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid, C8H6N2O2, ACN-027460,

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-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number