AG003584

710322-57-9 | Methyl 5-formylpyrazine-2-carboxylate

AG003584

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CAS Number	710322-57-9
Catalog Number	AG003584(AGN-PC-076TPV)
Chemical Name	Methyl 5-formylpyrazine-2-carboxylate
IUPAC Name	methyl 5-formylpyrazine-2-carboxylate
InChI	InChI=1S/C7H6N2O3/c1-12-7(11)6-3-8-5(4-10)2-9-6/h2-4H,1H3
InChI Key	KNAAFIKYVYERNG-UHFFFAOYSA-N
MDL Number	MFCD12755910
Molecular Formula	C7H6N2O3
Molecular Weight	166.1341
SMILES	COC(=O)c1cnc(cn1)C=O
Synonyms	Methyl 5-formylpyrazine-2-carboxylate, 710322-57-9, Pyrazinecarboxylic acid, 5-forMyl-, Methyl ester (9CI), 5-FORMYL-PYRAZINE-2-CARBOXYLIC ACID METHYL ESTER, AK-89118, PYRAZINECARBOXYLIC ACID, 5-FORMYL-, METHYL ESTER, SCHEMBL992006, CTK8C4258, DTXSID90659243, KNAAFIKYVYERNG-UHFFFAOYSA-N, BCP15063, 1015AC, ANW-71400, BBL102609, MFCD12755910, STL556412, ZINC39058500, AKOS016007474, AB65854, CS-W022869, FCH1148855, MCULE-1306482263, KS-000000N1, AJ-97760, AM807191, DS-18578, SC-14739, SY111567, AB0072007, AX8238679, TC-160145, 4CH-024263, FT-0735371, ST24048003, MFCD12755910 (95%), C7H6N2O3, Pyrazinecarboxylicacid,5-formyl-,methylester,

Complexity	184
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	0
Isotope Atom Count	0
Molecular Weight	166.136g/mol
Monoisotopic Mass	166.038g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	69.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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