AG00234D

1818-27-5 | Ethanone, 1-(2,4,5-trihydroxyphenyl)-

AG00234D

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CAS Number	1818-27-5
Catalog Number	AG00234D(AGN-PC-0JLBP1)
Chemical Name	Ethanone, 1-(2,4,5-trihydroxyphenyl)-
IUPAC Name	1-(2,4,5-trihydroxyphenyl)ethanone
InChI	InChI=1S/C8H8O4/c1-4(9)5-2-7(11)8(12)3-6(5)10/h2-3,10-12H,1H3
InChI Key	WCJLAYDOJJYRHF-UHFFFAOYSA-N
MDL Number	MFCD00601422
Molecular Formula	C8H8O4
Molecular Weight	168.1467
NSC Number	57601
SMILES	CC(C1=CC(O)=C(O)C=C1O)=O
Synonyms	1-(2,4,5-trihydroxyphenyl)ethanone, 1818-27-5, Ethanone, 1-(2,4,5-trihydroxyphenyl)-, 1-(2,4,5-TRIHYDROXY-PHENYL)-ETHANONE, 1-(2,4,5-trihydroxyphenyl)ethan-1-one, AK153502, NSC57601, 2,4,5-TRIHYDROXYACETOPHENONE, NSC 57601, AI3-22174, AC1L2M5X, AC1Q5D4L, SCHEMBL225786, Acetophenone, 2,4,5-trihydroxy, KS-00000RXE, DTXSID60171189, 2',4',5'-Trihydroxyacetophenone, 1-acetyl-2,4,5-trihydroxybenzene, ZINC1460500, 9379AH, MFCD00601422, NSC-57601, AKOS002231968, FCH1114235, MCULE-8907061237, AJ-26241, AS-10670, AX8261457, CS-0060848, ST45102654, C8H8O4, (2,4,5-trihydroxyphenyl)ethanone, C8-H8-O4, CID74559, AR-1D2960, ACN-052926, 1850-96-0,

Complexity	180
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.042g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	168.148g/mol
Monoisotopic Mass	168.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	77.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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