AG0037DV

50866-30-3 | 5-methylpyrazine-2-carbaldehyde

AG0037DV

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CAS Number	50866-30-3
Catalog Number	AG0037DV(AGN-PC-00NBZ7)
Chemical Name	5-methylpyrazine-2-carbaldehyde
IUPAC Name	5-methylpyrazine-2-carbaldehyde
InChI	InChI=1S/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3
InChI Key	JUPFEWGPEBACJP-UHFFFAOYSA-N
MDL Number	MFCD10697792
Molecular Formula	C6H6N2O
Molecular Weight	122.1246
SMILES	O=CC1=NC=C(C)N=C1
Synonyms	5-METHYLPYRAZINE-2-CARBALDEHYDE, 50866-30-3, 5-Methyl-pyrazine-2-carbaldehyde, 5-METHYL-2-PYRAZINECARBALDEHYDE, MFCD10697792, 5-methyl-2-formylpyrazine, 2-Formyl-5-methylpyrazine, 5-methylpyrazine-2-aldehyde, SCHEMBL1206325, CTK4J3270, DTXSID60545285, JUPFEWGPEBACJP-UHFFFAOYSA-N, Pyrazinecarboxaldehyde, 5-methyl-, 2-Pyrazinecarboxaldehyde,5-methyl-, ALBB-027969, ANW-54106, ZINC20443803, AKOS012321434, CM-2121, CS-W006037, PB23818, PS-4985, RP00687, KS-0000076V, 5-METHYL-2-PYRAZINECARBOXALDEHYDE, AJ-77699, AK-40389, CJ-16754, SC-47845, 2-PYRAZINECARBOXALDEHYDE, 5-METHYL-, AB0041503, DB-013338, TC-063300, 4CH-001742, FT-0751035, ST24029538, Y9267, Q-1670, J-517820, I14-11123, F9995-2603, C6H6N2O, ACN-030145, A7535,

Complexity	105
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	122.048g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	122.127g/mol
Monoisotopic Mass	122.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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

Lot Number