AG002PW5

249278-28-2 | Ethanone, 1-(2,4,6-trihydroxyphenyl)-, hydrate (1:1)

AG002PW5

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CAS Number	249278-28-2
Catalog Number	AG002PW5(AGN-PC-0KKWNV)
Chemical Name	Ethanone, 1-(2,4,6-trihydroxyphenyl)-, hydrate (1:1)
IUPAC Name	1-(2,4,6-trihydroxyphenyl)ethanone;hydrate
InChI	InChI=1S/C8H8O4.H2O/c1-4(9)8-6(11)2-5(10)3-7(8)12;/h2-3,10-12H,1H3;1H2
InChI Key	GDSIBPPJKSBCMF-UHFFFAOYSA-N
MDL Number	MFCD00149091
Molecular Formula	C8H10O5
Molecular Weight	186.1620
SMILES	CC(C1=C(O)C=C(O)C=C1O)=O.[H]O[H]
Synonyms	2',4',6'-Trihydroxyacetophenone monohydrate, 249278-28-2, 1-(2,4,6-trihydroxyphenyl)ethanone Hydrate, 1-(2,4,6-trihydroxyphenyl)ethan-1-one hydrate, Ethanone, 1-(2,4,6-trihydroxyphenyl)-, monohydrate, 2-Acetylbenzene-1,3,5-triol monohydrate, 2',4',6'-TRIHYDROXYACETOPHENONE HYDRATE, 1-(2,4,6-Trihydroxyphenyl)ethan-1-one monohydrate, ACMC-1CFBK, AC1MCQ0M, 2',4',6'-TRIHYDROXYACETOPHENONEMONOHYDRATE, KSC235O7R, MLS002695971, SCHEMBL564755, CHEMBL1887250, 2-Acetylphoroglucinol monohydrate, CTK1D5778, DTXSID50379415, GDSIBPPJKSBCMF-UHFFFAOYSA-N, ACN-S002715, 8065AF, ANW-30628, MFCD00002287, AKOS024355558, RP24615, RTR-017649, TRA0076570, VZ21792, AS-10576, SMR001562126, SY001238, ST2408505, TL8003246, 2;,4;,6;-Trihydroxyacetophenone Monohydrate, FT-0644118, ST50982894, 1-(2,4,6-trihydroxyphenyl)-ethanone hydrate, 1-acetyl-2,4,6-trihydroxybenzene, oxamethane, KS-00000992, MFCD00149091 (98%), Z-3585, 1-[2,4,6-tris(oxidanyl)phenyl]ethanone hydrate, A817556, 2',4',6'-Trihydroxyacetophenone monohydrate, 98%, Ethanone,1-(2,4,6-trihydroxyphenyl)-, hydrate (1:1), Ethanone, 1-(2,4,6-trihydroxyphenyl)-, hydrate (1:1), 2',4',6'-Trihydroxyacetophenone monohydrate, purum, >=99.0% (HPLC), 2',4',6'-Trihydroxyacetophenone monohydrate, matrix substance for MALDI-MS, >=99.5%, 2 inverted exclamation mark ,4 inverted exclamation mark ,6 inverted exclamation mark -Trihydroxyacetophenone Monohydrate, C8H8O4.H2O, 1-(2,4,6-Trihydroxyphenyl)ethanone, 2,4,6-Trihydroxyacetophenone hydrate, 480-66-0, CID2775149, 2,4,6-TRIHYDROXYACETOPHENONE MONOHYDRATE,

Complexity	168
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.053g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	186.163g/mol
Monoisotopic Mass	186.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number