AG006BBV

70199-62-1 | (4-Pyridyl)acetone, HCl

AG006BBV

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CAS Number	70199-62-1
Catalog Number	AG006BBV(AGN-PC-0BLD4E)
Chemical Name	(4-Pyridyl)acetone, HCl
IUPAC Name	1-pyridin-4-ylpropan-2-one;hydrochloride
InChI	InChI=1S/C8H9NO.ClH/c1-7(10)6-8-2-4-9-5-3-8;/h2-5H,6H2,1H3;1H
InChI Key	VEGGZQXLRRJVFN-UHFFFAOYSA-N
MDL Number	MFCD12198845
Molecular Formula	C8H10ClNO
Molecular Weight	171.6241
SMILES	Cl.CC(=O)CC1=CC=NC=C1
Synonyms	(4-PYRIDYL)ACETONE HYDROCHLORIDE, 70199-62-1, (4-PYRIDYL)ACETONE HCL, 1-(Pyridin-4-yl)propan-2-one hydrochloride, (4-Pyridyl)acetone, HCl, (4-Pyridyl)acetoneHydrochloride, CTK8E1509, 4765AJ, KM1331, MFCD12198845, AKOS022183505, KS-00000C19, AS-32409, SY005221, 1-(4-pyridinyl)-2-Propanone hydrochloride, DB-074273, TC-306405, FT-0721948, MFCD12198845 (98+%), C8H9NO.HCl,

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	1
Isotope Atom Count	0
Molecular Weight	171.624g/mol
Monoisotopic Mass	171.045g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	30A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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