AG00IIF0

946493-27-2 | 3,5-Dimethylpyrazine-2-carboxylic acid

AG00IIF0

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CAS Number	946493-27-2
Catalog Number	AG00IIF0(AGN-PC-09T4TT)
Chemical Name	3,5-Dimethylpyrazine-2-carboxylic acid
IUPAC Name	3,5-dimethylpyrazine-2-carboxylic acid
InChI	InChI=1S/C7H8N2O2/c1-4-3-8-6(7(10)11)5(2)9-4/h3H,1-2H3,(H,10,11)
InChI Key	QBTHZBYYZUTCNC-UHFFFAOYSA-N
MDL Number	MFCD18070837
Molecular Formula	C7H8N2O2
Molecular Weight	152.1506
SMILES	CC1=NC(C)=C(N=C1)C(O)=O
Synonyms	3,5-Dimethylpyrazine-2-carboxylic acid, 946493-27-2, AK-55030, SCHEMBL7422568, CTK8B7571, DTXSID40700239, ANW-57691, MFCD18070837, ZINC71617496, AKOS016001437, AB71826, FCH1162408, MP-1797, 3,5-Dimethyl-2-pyrazinecarboxylic acid, KS-00000P03, DA-00435, DS-14647, AJ-118293, AX8216581, TC-146436, 4CH-010771, FT-0735426, ST24022489, Z5384, C7H8N2O2, 3,5-Dimethylpyrazine-2-carboxylicacid, N/A,

Complexity	161
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	152.059g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	152.153g/mol
Monoisotopic Mass	152.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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