AG008NO6

78790-88-2 | 3-Ethoxyisonicotinic acid

AG008NO6

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CAS Number	78790-88-2
Catalog Number	AG008NO6(AGN-PC-00JUIK)
Chemical Name	3-Ethoxyisonicotinic acid
IUPAC Name	3-ethoxypyridine-4-carboxylic acid
InChI	InChI=1S/C8H9NO3/c1-2-12-7-5-9-4-3-6(7)8(10)11/h3-5H,2H2,1H3,(H,10,11)
InChI Key	QCLRSXUNLYWRRG-UHFFFAOYSA-N
MDL Number	MFCD11100049
Molecular Formula	C8H9NO3
Molecular Weight	167.1620
SMILES	O=C(O)C1=CC=NC=C1OCC
Synonyms	3-Ethoxyisonicotinic acid, 78790-88-2, 3-ethoxypyridine-4-carboxylic acid, CTK2H6142, KS-00000NLM, DTXSID50511878, 4-Pyridinecarboxylicacid, 3-ethoxy-, MFCD11100049, SBB052905, ZINC40447901, AKOS006308950, AK137999, TS-02249, AJ-102541, ST2405048, 4CH-017369, 3-ethoxyisonicotinicacid,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.058g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	167.164g/mol
Monoisotopic Mass	167.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	59.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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