AG003DW0

42508-60-1 | 1-Acetonylpyridinium Chloride

AG003DW0

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CAS Number	42508-60-1
Catalog Number	AG003DW0(AGN-PC-0WA48N)
Chemical Name	1-Acetonylpyridinium Chloride
IUPAC Name	1-pyridin-1-ium-1-ylpropan-2-one;chloride
InChI	InChI=1S/C8H10NO.ClH/c1-8(10)7-9-5-3-2-4-6-9;/h2-6H,7H2,1H3;1H/q+1;/p-1
InChI Key	JHYYWKUENNZTMD-UHFFFAOYSA-M
MDL Number	MFCD00031949
Molecular Formula	C8H10ClNO
Molecular Weight	171.6241
NSC Number	10889
SMILES	O=C(C)C[N+]1=CC=CC=C1.[Cl-]
Synonyms	1-Acetonylpyridinium Chloride, 42508-60-1, N-Acetonylpyridinium Chloride, 1-(2-oxopropyl)pyridinium chloride, 1-Acetonylpyridiniumchloride, MFCD00031949, ACMC-209jpw, AC1MC0EN, SCHEMBL420325, DTXSID40370133, JHYYWKUENNZTMD-UHFFFAOYSA-M, NSC10889, ANW-29826, NSC-10889, AKOS015833120, FCH1116063, MCULE-7915513624, RTR-016633, CC-03857, DB-050921, TR-016633, 1-pyridin-1-ium-1-ylpropan-2-one chloride, A0828, FT-0639794, C-05479, I02-3043, 1-pyridin-1-ylpropan-2-one Chloride, CID2734121,

Complexity	116
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	171.045g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	171.624g/mol
Monoisotopic Mass	171.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	21A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

Lot Number