AG003INR

39151-19-4 | 1-(3,5-Dimethoxyphenyl)ethanone

AG003INR

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CAS Number	39151-19-4
Catalog Number	AG003INR(AGN-PC-0JM1MG)
Chemical Name	1-(3,5-Dimethoxyphenyl)ethanone
EC Number	254-322-3
IUPAC Name	1-(3,5-dimethoxyphenyl)ethanone
InChI	InChI=1S/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3
InChI Key	YJKHOUIVWKQRSL-UHFFFAOYSA-N
MDL Number	MFCD00008739
Molecular Formula	C10H12O3
Molecular Weight	180.2005
NSC Number	46884
SMILES	CC(C1=CC(OC)=CC(OC)=C1)=O
Synonyms	3',5'-Dimethoxyacetophenone, 39151-19-4, 1-(3,5-Dimethoxyphenyl)ethanone, 3,5-Dimethoxyacetophenone, 1-(3,5-Dimethoxyphenyl)ethan-1-one, Ethanone, 1-(3,5-dimethoxyphenyl)-, EINECS 254-322-3, MLS000084838, Acetophenone, 3',5'-dimethoxy- (6CI,7CI), YJKHOUIVWKQRSL-UHFFFAOYSA-N, MFCD00008739, SMR000019184, 1-acetyl-3,5-dimethoxybenzene, NSC46884, ACMC-20anci, PubChem3391, AC1L3VJR, Opera_ID_1889, 3.5-dimethoxyacetophenone, AC1Q5DM2, SCHEMBL863160, 3',5'-dimethoxy acetophenone, AC1Q47J2, 3'',5''-Dimethoxyacetophenone, 3\',5\'-Dimethoxyacetophenone, CHEMBL1549987, CTK8C5972, KS-00000NET, YJKHOUIVWKQRSL-UHFFFAOYSA-, HMS2358H16, ZINC155371, ACT00780, 1-(3,5-dimethoxy-phenyl)-ethanone, 1-(3,5-Dimethoxyphenyl)ethanone #, 3',5'-Dimethoxyacetophenone, 97%, CD-154, NSC-46884, SBB064200, AKOS001600274, AB00953, CS-W021211, FS-1676, MCULE-8311400789, RP24147, VZ25285, AC-15468, AJ-13551, AK-86405, LS-67386, Q282, SC-65441, ZB006031, AB1002779, DB-022076, ST2403127, TC-169929, EU-0034836, FT-0614638, ST50308643, 151D194, SR-01000400505, I01-8767, SR-01000400505-1, W-106456, 3',5'-Dimethoxyacetophenone 3,5-Dimethoxyacetophenone, InChI=1/C10H12O3/c1-7(11)8-4-9(12-2)6-10(5-8)13-3/h4-6H,1-3H3, null, 3',5'-Dihydroxyacetophenone, C10H12O3, KST-1B4067, CID95997, AR-1B1285, C10-H12-O3, 3',5'-Dimethoxyacetophenone, 97% - 1G 1g, 41007-80-1,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.079g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.203g/mol
Monoisotopic Mass	180.079g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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