AG00BF5X

30152-05-7 | 1-(3-Hydroxy-4-pyridinyl)-ethanone

AG00BF5X

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CAS Number	30152-05-7
Catalog Number	AG00BF5X(AGN-PC-0NKCUL)
Chemical Name	1-(3-Hydroxy-4-pyridinyl)-ethanone
IUPAC Name	1-(3-hydroxypyridin-4-yl)ethanone
InChI	InChI=1S/C7H7NO2/c1-5(9)6-2-3-8-4-7(6)10/h2-4,10H,1H3
InChI Key	REYSBWKWFPSDDR-UHFFFAOYSA-N
MDL Number	MFCD18256467
Molecular Formula	C7H7NO2
Molecular Weight	137.1360
SMILES	CC(C1=C(O)C=NC=C1)=O
Synonyms	1-(3-Hydroxypyridin-4-yl)ethanone, 30152-05-7, 4-Acetyl-3-hydroxypyridine, 1-(3-hydroxypyridin-4-yl)ethan-1-one, 1-(3-hydroxy-4-pyridinyl)ethanone, Ethanone, 1-(3-hydroxy-4-pyridinyl)-, 3-Hydroxy-4-acetylpyridine, SCHEMBL1798009, CTK8B4165, 3-hydroxy-4-pyridylmethyl ketone, DTXSID50510265, BCP28934, CS-B0938, KS-00000P5W, ANW-44165, MFCD18256467, ZINC39068802, 1-(3-Hydroxy-4-pyridinyl)-ethanone, AKOS015999719, GS-6546, MP-1710, AJ-97912, AK-68365, DA-17148, SC-65674, TX-015765, 1-?(3-?Hydroxy-?4-?pyridinyl)?-ethanone, 4CH-010892, Ethanone,1-(3-hydroxy-4-pyridinyl)-(9ci), FT-0745215, ST24021053, Z4577, Ethanone, 1-(3-hydroxy-4-pyridinyl)- (9CI), C7H7NO2,

Complexity	136
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	1
Isotope Atom Count	0
Molecular Weight	137.138g/mol
Monoisotopic Mass	137.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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

Lot Number