AG00AORR

1849-52-1 | 3-Methoxyisonicotinaldehyde

AG00AORR

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CAS Number	1849-52-1
Catalog Number	AG00AORR(AGN-PC-0NKA67)
Chemical Name	3-Methoxyisonicotinaldehyde
IUPAC Name	3-methoxypyridine-4-carbaldehyde
InChI	InChI=1S/C7H7NO2/c1-10-7-4-8-3-2-6(7)5-9/h2-5H,1H3
InChI Key	FZWFPBUTNZWBEM-UHFFFAOYSA-N
MDL Number	MFCD04112484
Molecular Formula	C7H7NO2
Molecular Weight	137.1360
SMILES	COC1=C(C=O)C=CN=C1
Synonyms	3-METHOXYISONICOTINALDEHYDE, 1849-52-1, 3-Methoxypyridine-4-carboxaldehyde, 3-methoxypyridine-4-carbaldehyde, 5-methoxyisonicotinaldehyde, SCHEMBL1052852, CTK0H1696, KS-00000NNO, DTXSID20509888, FZWFPBUTNZWBEM-UHFFFAOYSA-N, 3-methoxy-4-pyridinecarboxaldehyde, ANW-71746, MFCD04112484, ZINC14983175, AKOS006229932, AB17541, AC-5070, CM-1136, CS-W005812, AJ-65839, AK-76614, AN-11362, CJ-14740, DS-16727, AB1011461, DB-081955, ST2417774, TC-160491, 4CH-015605, FT-0692209, A812901, I02-2194, J-512791, null, 3-Methoxyisonicotildehyde,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.048g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	137.138g/mol
Monoisotopic Mass	137.048g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

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