AG003686

5521-61-9 | 6-Methyl-2-pyrazinecarboxylic acid

AG003686

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CAS Number	5521-61-9
Catalog Number	AG003686(AGN-PC-086DSC)
Chemical Name	6-Methyl-2-pyrazinecarboxylic acid
IUPAC Name	6-methylpyrazine-2-carboxylic acid
InChI	InChI=1S/C6H6N2O2/c1-4-2-7-3-5(8-4)6(9)10/h2-3H,1H3,(H,9,10)
InChI Key	YDSUJIRXXROKQG-UHFFFAOYSA-N
MDL Number	MFCD08705756
Molecular Formula	C6H6N2O2
Molecular Weight	138.1240
SMILES	CC1=CN=CC(=N1)C(=O)O
UNII	IEL6N911F0
Synonyms	6-Methylpyrazine-2-carboxylic acid, 5521-61-9, Pyrazinecarboxylic acid, 6-methyl-, 6-METHYL-2-PYRAZINECARBOXYLIC ACID, UNII-IEL6N911F0, 2-METHYLPYRAZINE-6-CARBOXYLIC ACID, IEL6N911F0, AK-26120, Q-103334, AC1LAM0L, AC1Q5UBZ, 2-Carboxy-6-methylpyrazine, SCHEMBL287705, AMPZ0022, CTK1H3868, DTXSID30203709, YDSUJIRXXROKQG-UHFFFAOYSA-N, 2-methyl-6-pyrazinecarboxylic acid, 6-methylpyrazine 2-carboxylic acid, BCP23412, ZINC6523515, ZX-AT015526, 2-Pyrazinecarboxylicacid, 6-methyl-, 6-Methyl-pyrazine-2-carboxylic acid, ANW-50657, CM0078, FCH863240, MFCD08705756, QC-269, 2-Pyrazinecarboxylic acid, 6-methyl-, AKOS006290024, AB48615, AM85815, AN-5131, CM-2040, CM14090, CS-W003558, GS-6589, OR40068, RP01154, KS-000001E0, AJ-56311, BR-26120, SC-14460, SY017452, AB0025455, AB1006174, AX8109769, DB-002219, ST1120856, TX-010595, 4CH-001074, FT-0647773, W6922, MFCD08705756 (95%), S-4883, 2-Methylpyrazine-6-carboxylic acid; 6-methyl-2-Pyrazinecarboxylic acid, Pyrazine der., 6-Methylpyrazine-2-CarboxylicAcid, C6H6N2O2, AIDS070608, C6-H6-N2-O2, AR-1H2334, CID470897, ACN-029290, 55653-13-9,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	138.043g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	138.126g/mol
Monoisotopic Mass	138.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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