AG00ANIX

186534-01-0 | trimethylpyrazine-2-carboxylic acid

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CAS Number	186534-01-0
Catalog Number	AG00ANIX(AGN-PC-050GIV)
Chemical Name	trimethylpyrazine-2-carboxylic acid
IUPAC Name	3,5,6-trimethylpyrazine-2-carboxylic acid
InChI	InChI=1S/C8H10N2O2/c1-4-5(2)10-7(8(11)12)6(3)9-4/h1-3H3,(H,11,12)
InChI Key	WVHVVMMOAVPNKV-UHFFFAOYSA-N
MDL Number	MFCD18377781
Molecular Formula	C8H10N2O2
Molecular Weight	166.1772
SMILES	CC1=C(C)N=C(C(O)=O)C(C)=N1
Synonyms	3,5,6-trimethylpyrazine-2-carboxylic acid, TMPz D2, TMPz-D2, 186534-01-0, 3,5,6-trimethylpyrazine-2-carboxylic Acid, trimethylpyrazine-2-carboxylic acid, Pyrazinecarboxylic acid, trimethyl- (9CI), SCHEMBL2406658, CTK0H1326, DTXSID50649160, ZINC34115470, AKOS023401506, 3,5,6-trimethylpyrazinecarboxylic acid, MCULE-4204867756, NE33663, 3,5,6-Trimethyl-2-pyrazinecarboxylic acid, 2-Pyrazinecarboxylicacid, 3,5,6-trimethyl-, 2-Pyrazinecarboxylic acid, 3,5,6-trimethyl-, Z1704732890,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.074g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	166.18g/mol
Monoisotopic Mass	166.074g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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