AG00256U

17720-60-4 | Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-

AG00256U

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CAS Number	17720-60-4
Catalog Number	AG00256U(AGN-PC-009B52)
Chemical Name	Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-
IUPAC Name	1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone
InChI	InChI=1S/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H2
InChI Key	KLFCJXAPIFIIFR-UHFFFAOYSA-N
MDL Number	MFCD00498162
Molecular Formula	C14H12O4
Molecular Weight	244.2427
SMILES	OC1=CC=C(CC(C2=CC=C(O)C=C2O)=O)C=C1
Synonyms	2,4,4'-trihydroxydeoxybenzoin, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone, 17720-60-4, 1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)-ethanone, CHEMBL193200, 2,4,4'-Trihydroxydeoxybenzoin, 2,4,4'-trihydroxy deoxybenzoin, MFCD00498162, 1-(2,4-DIHYDROXY-PHENYL)2 (4-HYDRO XY-PHENYL)-ETHANONE, Ethanone,1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-, ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-, AC1LCZXZ, Oprea1_494118, SCHEMBL312243, AMBZ0079, 2,4,4'-terthydroxydeoxybenzoin, 2,4,4''-Trihydroxydeoxybenzoin, CTK4D6432, 2,4,4''-terthydroxydeoxybenzoin, DTXSID00348696, KLFCJXAPIFIIFR-UHFFFAOYSA-N, ZINC487423, BDBM50166034, QC-573, RB3225, SBB016529, AKOS000273551, ACN-001699, AM62685, MCULE-6768337201, ACM17720604, 423150-69-0, AJ-23136, AK151320, AS-54430, DA-09200, ZB014154, AB0088147, AB1004760, AX8049722, 4CH-022478, FT-0696422, ST24037021, X-1444, 1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-phenyl)ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethan-1-one, 1-(2,4-Dihydroxyphenyl)-2-(4-hydroxyphenyl)ethanone, AldrichCPR, Acetophenone,2',4'-dihydroxy-2-(p-hydroxyphenyl)- (6CI,7CI,8CI); 1-(2,4-Dihydroxyphenyl)-2-2-(4-hydroxyphenyl)ethanone; 2,4,4'-Trihydroxydeoxybenzoin; 2,4-Dihydroxyphenyl 4'-hydroxybenzyl ketone; 2',4'-Dihydroxy-2-(4-hydroxyphenyl)acetophenone, InChI=1/C14H12O4/c15-10-3-1-9(2-4-10)7-13(17)12-6-5-11(16)8-14(12)18/h1-6,8,15-16,18H,7H, 1- -2- ethanone, 2,4,4/'-Trihydroxydeoxybenzoin, CID640096, ZINC00487423,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.074g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	244.246g/mol
Monoisotopic Mass	244.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335-H317
Packing Group
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P280
UN Code

Certificate of Analysis

Lot Number