AG004TU3

832715-99-8 | 6-tert-butylnicotinic acid

AG004TU3

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CAS Number	832715-99-8
Catalog Number	AG004TU3(AGN-PC-03HDP6)
Chemical Name	6-tert-butylnicotinic acid
IUPAC Name	6-tert-butylpyridine-3-carboxylic acid
InChI	InChI=1S/C10H13NO2/c1-10(2,3)8-5-4-7(6-11-8)9(12)13/h4-6H,1-3H3,(H,12,13)
InChI Key	CVGXKEVUQXTBGM-UHFFFAOYSA-N
MDL Number	MFCD08059362
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
SMILES	CC(C)(C)C1=CC=C(C=N1)C(O)=O
Synonyms	6-(tert-Butyl)nicotinic acid, 832715-99-8, 6-tert-butylpyridine-3-carboxylic acid, 6-tert-butylnicotinic acid, 3-Pyridinecarboxylic acid, 6-(1,1-dimethylethyl)-, 6-(1,1-DIMETHYLETHYL)-3-PYRIDINECARBOXYLIC ACID, 6-tert-butyl-nicotinic acid, 6-(tert-Butyl);nicotinic acid, SCHEMBL1070876, CTK3D3360, DTXSID90619660, CVGXKEVUQXTBGM-UHFFFAOYSA-N, 2849AC, ANW-57585, MFCD08059362, ZINC69476296, AKOS006284718, PB10487, KS-000004X5, AK-64757, AM806793, DS-15624, SC-48424, AB0078617, AJ-117193, DB-075916, ST2406385, TC-146330, 4CH-017281, CS-0043067, FT-0728729, Q-1528, I02-2962, 6-(tert-Butyl)nicotinicacid, C10H13NO2,

Complexity	196
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	179.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	179.219g/mol
Monoisotopic Mass	179.095g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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