AG003IT6

870703-62-1 | 3-Acetyl-2,6-dimethoxypyridine

AG003IT6

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CAS Number	870703-62-1
Catalog Number	AG003IT6(AGN-PC-0VADUN)
Chemical Name	3-Acetyl-2,6-dimethoxypyridine
IUPAC Name	1-(2,6-dimethoxypyridin-3-yl)ethanone
InChI	InChI=1S/C9H11NO3/c1-6(11)7-4-5-8(12-2)10-9(7)13-3/h4-5H,1-3H3
InChI Key	IVALWZXGBXJZPI-UHFFFAOYSA-N
MDL Number	MFCD07784407
Molecular Formula	C9H11NO3
Molecular Weight	181.1885
SMILES	COC1=NC(OC)=C(C(C)=O)C=C1
Synonyms	3-Acetyl-2,6-dimethoxypyridine, 870703-62-1, 1-(2,6-dimethoxypyridin-3-yl)ethanone, 1-(2,6-Dimethoxypyridin-3-yl)ethan-1-one, ACMC-20anar, SCHEMBL8443874, 2,6-Dimethoxy-3-acetylpyridine, CTK5F7684, 3-acetyl-2,6-dimethoxy-pyridine, DTXSID80584737, IVALWZXGBXJZPI-UHFFFAOYSA-N, MFCD07784407, ZINC25724290, AKOS024015189, 3-Acetyl-2,6-dimethoxypyridine, 97%, SC-70206, RT-019515, CS-0092053,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.074g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	181.191g/mol
Monoisotopic Mass	181.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	48.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
UN Code

Certificate of Analysis

Lot Number