AG00DAFG

487-49-0 | 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone

AG00DAFG

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CAS Number	487-49-0
Catalog Number	AG00DAFG(AGN-PC-0JNVJY)
Chemical Name	1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
IUPAC Name	1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
InChI	InChI=1S/C15H14O4/c1-19-12-5-2-10(3-6-12)8-14(17)13-7-4-11(16)9-15(13)18/h2-7,9,16,18H,8H2,1H3
InChI Key	XHBZOAYMBBUURD-UHFFFAOYSA-N
MDL Number	MFCD00020119
Molecular Formula	C15H14O4
Molecular Weight	258.2693
NSC Number	89759
SMILES	O=C(C1=CC=C(O)C=C1O)CC2=CC=C(OC)C=C2
UNII	4S084Z7YS4
Synonyms	ONONETIN, 487-49-0, 1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone, 2',4'-dihydroxy-2-(4-methoxyphenyl)acetophenone, NSC89759, NSC 89759, UNII-4S084Z7YS4, MLS000736891, CHEMBL241858, 4S084Z7YS4, Acetophenone, 2',4'-dihydroxy-2-(p-methoxyphenyl)-, 2,4-dihydroxy-4'-methoxydeoxybenzoin, EN300-37037, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)-ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethan-1-one, SR-01000395029, Spectrum_000796, AC1Q4CDW, AC1Q5EDM, Spectrum2_000808, Spectrum3_001777, Spectrum4_001479, Spectrum5_000157, AC1L61HY, Oprea1_716474, BSPBio_001797, BSPBio_003273, KBioGR_002057, KBioSS_001276, SPECTRUM212097, SPBio_000675, SCHEMBL2948430, CTK4J0977, KBio2_001276, KBio2_003844, KBio2_006412, KBio3_002774, DTXSID50197590, XHBZOAYMBBUURD-UHFFFAOYSA-N, HMS2270L16, ZINC163657, ALBB-017538, KS-000017WN, ZX-AN016225, ZX-AT027613, 4213AE, BDBM50295962, CCG-38393, MFCD00020119, NSC-89759, SBB081000, STK856460, AKOS000275879, 2,4-dihydroxy-4''-methoxydeoxybenzoin, MCULE-4823998554, SDCCGMLS-0066960.P001, NCGC00095540-01, NCGC00095540-02, NCGC00095540-03, AK176319, BC600829, SC-82951, SMR000528412, 2,4-Dihydroxyphenyl 4-Methoxybenzyl Ketone, LS-185348, B5811, D4816, O-135, ST50039223, A-8272, SR-01000395029-1, SR-01000395029-3, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanon, BRD-K85385671-001-02-2, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone., Ethanone,1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)-, F0900-1857, 1-(2,4-dihydroxy-phenyl)-2-(4-methoxy-phenyl)-ethanone, Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)-, C15H14O4, AR-1H6432, CID259632, 2,4-Dihydroxy-4/'-methoxydeoxybenzoin, A13776, 5444-70-2,

Complexity	297
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.089g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	258.273g/mol
Monoisotopic Mass	258.089g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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