AG003JW8

3421-76-9 | 2-Ethylnicotinic acid

AG003JW8

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CAS Number	3421-76-9
Catalog Number	AG003JW8(AGN-PC-0WAM1B)
Chemical Name	2-Ethylnicotinic acid
IUPAC Name	2-ethylpyridine-3-carboxylic acid
InChI	InChI=1S/C8H9NO2/c1-2-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChI Key	RESGCFMULOVHHB-UHFFFAOYSA-N
MDL Number	MFCD18072523
Molecular Formula	C8H9NO2
Molecular Weight	151.1626
SMILES	C(C)C1=C(C(=O)O)C=CC=N1
Synonyms	2-ethylnicotinic acid, 3421-76-9, 2-Ethylnicotinicacid, 2-ethylpyridine-3-carboxylic acid, 3-Pyridinecarboxylicacid,2-ethyl-(9CI), AC1LA3SB, SCHEMBL123202, CTK1C1073, DTXSID10333457, 3-pyridinecarboxylic acid,2-ethyl-, 3-Pyridinecarboxylicacid, 2-ethyl-, ACT10362, KS-000001JL, ZINC3654340, 4086AB, MFCD18072523, AKOS016009684, CS-W019286, DS-5135, AJ-45259, AK111206, 3-PYRIDINECARBOXYLIC ACID 2-ETHYL-, DB-023798, 4CH-003896, FT-0749309, ST24040554, A21642, Ethylnicotinate, Ethyl-nicotinate, 2-Ethyl-nicotinic acid, C8H9NO2, ACN-S005095, CID506624, 3-Pyridinecarboxylic acid, 2-ethyl- (9CI),

Complexity	147
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	151.063g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	151.165g/mol
Monoisotopic Mass	151.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number