AG007Q3I

118543-96-7 | 5-Acetylpyrazine-2-carboxylic acid

AG007Q3I

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CAS Number	118543-96-7
Catalog Number	AG007Q3I(AGN-PC-07ABSM)
Chemical Name	5-Acetylpyrazine-2-carboxylic acid
IUPAC Name	5-acetylpyrazine-2-carboxylic acid
InChI	InChI=1S/C7H6N2O3/c1-4(10)5-2-9-6(3-8-5)7(11)12/h2-3H,1H3,(H,11,12)
InChI Key	HMUCEWYEXBWAGY-UHFFFAOYSA-N
MDL Number	MFCD17014897
Molecular Formula	C7H6N2O3
Molecular Weight	166.1341
SMILES	CC(=O)C1=NC=C(N=C1)C(O)=O
Synonyms	5-Acetylpyrazine-2-carboxylic acid, 118543-96-7, 5-acetyl-2-Pyrazinecarboxylic acid, 2-Pyrazinecarboxylicacid, 5-acetyl-, AK-55121, ACMC-1BWSH, SCHEMBL15305157, CTK0H3134, DTXSID40665298, KS-00000OZ8, 3044AA, ANW-68938, FCH995448, MFCD18377786, ZINC39058534, AKOS016005902, AJ-97766, DS-14687, AX8216421, DB-061327, ST2406046, TC-157683, 4CH-016945, FT-0723738, C7H6N2O3, Pyrazinecarboxylic acid, 5-acetyl- (9CI),

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.038g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.136g/mol
Monoisotopic Mass	166.038g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	80.2A^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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number