AG0016NL

1220330-11-9 | 2-Pyrazinecarboxylic acid, 5-ethoxy-

AG0016NL

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CAS Number	1220330-11-9
Catalog Number	AG0016NL(AGN-PC-0BU67V)
Chemical Name	2-Pyrazinecarboxylic acid, 5-ethoxy-
IUPAC Name	5-ethoxypyrazine-2-carboxylic acid
InChI	InChI=1S/C7H8N2O3/c1-2-12-6-4-8-5(3-9-6)7(10)11/h3-4H,2H2,1H3,(H,10,11)
InChI Key	LQMBFTKKBNTWEF-UHFFFAOYSA-N
MDL Number	MFCD20284623
Molecular Formula	C7H8N2O3
Molecular Weight	168.1500
SMILES	C(=O)(O)c1cnc(cn1)OCC
Synonyms	5-Ethoxypyrazine-2-carboxylic acid, 1220330-11-9, 2-Pyrazinecarboxylic acid, 5-ethoxy-, SCHEMBL991588, CTK8B7400, DTXSID50726829, LQMBFTKKBNTWEF-UHFFFAOYSA-N, 4192AA, ANW-57195, MFCD20284623, ZINC70582532, AKOS013586837, NE39398, KS-00000P39, AK-59873, DS-16355, AB0056515, AJ-117377, TC-145940, 4CH-010849, FT-0710113, ST24024073, Z2510258106, C7H8N2O3, 5-Ethoxypyrazine-2-carboxylicacid,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	168.152g/mol
Monoisotopic Mass	168.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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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