AG003G1V

1129-30-2 | 2,6-Diacetylpyridine

AG003G1V

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CAS Number	1129-30-2
Catalog Number	AG003G1V(AGN-PC-0JL9XH)
Chemical Name	2,6-Diacetylpyridine
EC Number	214-442-9
IUPAC Name	1-(6-acetylpyridin-2-yl)ethanone
InChI	InChI=1S/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3
InChI Key	BEZVGIHGZPLGBL-UHFFFAOYSA-N
MDL Number	MFCD00006304
Molecular Formula	C9H9NO2
Molecular Weight	163.1733
NSC Number	63355
SMILES	O=C(C1=CC=CC(C(C)=O)=N1)C
Synonyms	2,6-Diacetylpyridine, 1129-30-2, 1,1'-(pyridine-2,6-diyl)diethanone, 1-(6-acetylpyridin-2-yl)ethanone, MFCD00006304, Pyridine-2,6-diacetyl, 2,6-Diacetyl Pyridine, 1-(6-Acetyl-pyridin-2-yl)-ethanone, 2,6-Diacetylpyridine, 99%, Ethanone, 1,1'-(2,6-pyridinediyl)bis-, BEZVGIHGZPLGBL-UHFFFAOYSA-N, 1-(6-acetylpyridin-2-yl)ethan-1-one, FR-2379, AK-32871, W-108632, NSC63355, 2,6diacetylpyridine, EINECS 214-442-9, PubChem3144, ACMC-1BRW6, PYDA12, AC1L2EV7, AC1Q1K1A, KSC178M8B, SCHEMBL455687, Jsp001013, BEZVGIHGZPLGBL-UHFFFAOYSA-, CTK0H8680, 1-(6-acetyl-2-pyridyl)ethanone, DTXSID10150202, 1,1'-pyridine-2,6-diyldiethanone, ACT05197, ZINC1081261, ZX-AT008390, ANW-16547, BBL100152, CD-460, NSC-63355, OR4267, SBB055536, STK087382, AKOS003595902, AC-6429, CM14426, CS-W001999, FCH1115976, MCULE-9121297035, RTR-034089, TRA0035684, 1,1'-(2,6-Pyridinediyl)bis[ethanone], NCGC00340769-01, AJ-24929, AN-10042, BC225226, BP-20094, BR-32871, CC-07944, CJ-04737, P368, SC-00414, SY010398, TS-03571, ZB015909, AB0016968, AX8030251, DB-013979, ST2415885, TR-034089, D2377, FT-0610526, ST50307722, TL80090502, MFCD00006304 (98%), C-5328, D58390, 2,6-Diacetylpyridine, purum, >=98.0% (GC), AB01332223-02, 129D302, C-04332, S02-0165, InChI=1/C9H9NO2/c1-6(11)8-4-3-5-9(10-8)7(2)12/h3-5H,1-2H3, C9H9NO2, C9-H9-N-O2, CID70790, AR-1D4743, ACN-037911, 2,6-Diacetylpyridine, 97% - 5G 5g, 114423-98-2,

Complexity	181
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	163.063g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	163.176g/mol
Monoisotopic Mass	163.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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