AG002IEW

20628-06-2 | Ethanone, 1-(2-hydroxy-4,5-dimethoxyphenyl)-

AG002IEW

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CAS Number	20628-06-2
Catalog Number	AG002IEW(AGN-PC-0JV7ZI)
Chemical Name	Ethanone, 1-(2-hydroxy-4,5-dimethoxyphenyl)-
IUPAC Name	1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone
InChI	InChI=1S/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3
InChI Key	KEQHBVWVKYHDCS-UHFFFAOYSA-N
MDL Number	MFCD00017241
Molecular Formula	C10H12O4
Molecular Weight	196.1999
SMILES	OC1=C(C=C(C(=C1)OC)OC)C(C)=O
Synonyms	20628-06-2, 1-(2-hydroxy-4,5-dimethoxyphenyl)ethanone, 2'-Hydroxy-4',5'-dimethoxyacetophenone, 4',5'-Dimethoxy-2'-hydroxyacetophenone, 2-hydroxy-4,5-dimethoxyacetophenone, 1-(2-Hydroxy-4,5-dimethoxyphenyl)ethan-1-one, KEQHBVWVKYHDCS-UHFFFAOYSA-N, 1-acetyl-2-hydroxy-4,5-dimethoxybenzene, ACMC-1CFUX, AC1LE5V9, AC1Q5D4X, Ethanone, 1-(2-hydroxy-4,5-dimethoxyphenyl)-, MLS000549622, SCHEMBL3661837, CHEMBL1338374, CTK4E4725, KEQHBVWVKYHDCS-UHFFFAOYSA-, ZINC93665, DTXSID40351684, HMS2314C08, ZX-AT023612, ANW-24162, MFCD00017241, SBB071452, STK130409, AKOS001745587, FCH1112905, MCULE-8919794743, KS-000015B7, AJ-10935, BP-13100, CC-17310, SMR000113656, ST093687, ZB003300, AX8000174, DB-045312, TC-112907, CS-0077084, FT-0638023, Y1992, 1-(4,5-dimethoxy-2-oxidanyl-phenyl)ethanone, 1-(2-Hydroxy-4,5-dimethoxy-phenyl)-ethanone, 1-(2-hydroxy-4,5-dimethoxyphenyl)-1-ethanone, A814755, AO-080/41904565, C-08932, SR-01000539951, J-013478, SR-01000539951-1, A2847/0120127, InChI=1/C10H12O4/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-5,12H,1-3H3, KST-1B1588, C10H12O4, AR-1B0902, CID706870, ZINC00093665, H1206, 20734-30-9,

Complexity	204
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	196.202g/mol
Monoisotopic Mass	196.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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

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