AG005ADM

74663-96-0 | 3-Methylisonicotinaldehyde

AG005ADM

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CAS Number	74663-96-0
Catalog Number	AG005ADM(AGN-PC-0K63TC)
Chemical Name	3-Methylisonicotinaldehyde
IUPAC Name	3-methylpyridine-4-carbaldehyde
InChI	InChI=1S/C7H7NO/c1-6-4-8-3-2-7(6)5-9/h2-5H,1H3
InChI Key	JFFOBFAGCSLMSV-UHFFFAOYSA-N
MDL Number	MFCD02181145
Molecular Formula	C7H7NO
Molecular Weight	121.1366
SMILES	CC1=C(C=O)C=CN=C1
Synonyms	74663-96-0, 3-Methylisonicotinaldehyde, 3-methylpyridine-4-carbaldehyde, 3-Methyl-4-pyridinecarboxaldehyde, 3-Methyl-pyridine-4-carbaldehyde, 3-Methylpyridine-4-carboxaldehyde, 4-PYRIDINECARBOXALDEHYDE, 3-METHYL-, ASN 07731954, AC1LT3OI, SCHEMBL2458188, CTK2I0604, DTXSID80363549, JFFOBFAGCSLMSV-UHFFFAOYSA-N, BCP22309, ZINC1420525, ANW-72706, MFCD02181145, AKOS006343950, AB11481, RP00677, VP10852, AJ-25760, AN-37151, AS-44419, SC-53029, DB-081364, TC-060158, BB 0220360, FT-0647263, Y9992, 3-methyl-4-pyridinecarboxaldehyde, AldrichCPR, M23860, Z-5431, 663M960, A838188, I02-0961, W-203707, 2-Formyl-5-picoline, C7H7NO, 5-Methyl-2-pyridinaldehyde, RW1647, CID1501880, 5-METHYLPYRIDINE-2-CARBOXALDEHYDE, 4-Pyridinecarboxaldehyde, 3-methyl- (9CI), 4985-92-6,

Complexity	103
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	121.053g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	121.139g/mol
Monoisotopic Mass	121.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	30A^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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