AG003KIW

2161-85-5 | 4,6-DIACETYLRESORCINOL

AG003KIW

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CAS Number	2161-85-5
Catalog Number	AG003KIW(AGN-PC-0JLP4V)
Chemical Name	4,6-DIACETYLRESORCINOL
EC Number	218-482-8
IUPAC Name	1-(5-acetyl-2,4-dihydroxyphenyl)ethanone
InChI	InChI=1S/C10H10O4/c1-5(11)7-3-8(6(2)12)10(14)4-9(7)13/h3-4,13-14H,1-2H3
InChI Key	GEYCQLIOGQPPFM-UHFFFAOYSA-N
MDL Number	MFCD00017655
Molecular Formula	C10H10O4
Molecular Weight	194.1840
SMILES	C(=O)(C)c1cc(C(=O)C)c(cc1O)O
Synonyms	4,6-diacetylresorcinol, 4,6-Diacetylresorcinol, 2161-85-5, resodiacetophenone, 1,1'-(4,6-Dihydroxy-1,3-phenylene)diethanone, 1,1'-(4,6-Dihydroxy-1,3-phenylene)bisethanone, Ethanone, 1,1'-(4,6-dihydroxy-1,3-phenylene)bis-, 1-(5-acetyl-2,4-dihydroxyphenyl)ethanone, GEYCQLIOGQPPFM-UHFFFAOYSA-N, 1,3-diacetyl-4,6-dihydroxybenzene, 1,1'-(4,6-Dihydroxy-1,3-phenylene)-bis-ethanone, Ethanone,1,1'-(4,6-dihydroxy-1,3-phenylene)bis-, 1-(5-acetyl-2,4-dihydroxyphenyl)ethan-1-one, 1,1'-(4,6-Dihydroxy-1,3-phenylene)bisethan-1-one, AC1Q5DBC, 4,6-Diacetyl resorcinol, ACMC-1CH0G, 4',6'-diacetylresorcinol, AC1L2O16, SCHEMBL1258995, 4,6-Diacetyl-1,3-benzenediol, CTK4E7323, DTXSID50175994, ZINC157769, ZX-AT023475, 4,6-Diacetyl-1,3-dihydroxybenzene, EINECS 218-482-8, 5522AH, FCH931280, MFCD00017655, SBB071482, STL356141, AKOS000277669, ACM2161855, FS-4391, MCULE-7524315727, VZ27596, KS-0000195U, CC-17347, SC-57877, ST094976, ZB006766, DB-045641, TC-169178, D5102, FT-0634081, A-7658, 1,1'-(4,6-Dihydroxy-1,3-phenylene);diethanone, 1,1'-(4,6-dihydroxybenzene-1,3-diyl)diethanone, C-08671, J-014183, I14-46328, 1,1'-(4,6-Dihydroxy-1,3-phenylene)bisethanone, 99%, InChI=1/C10H10O4/c1-5(11)7-3-8(6(2)12)10(14)4-9(7)13/h3-4,13-14H,1-2H, C10H10O4, CID75097, AR-1F8571, ZINC00157769, 4,6-Diacetylresorcinol, 99% - 1G 1g, 22157-98-8,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	194.186g/mol
Monoisotopic Mass	194.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number