AG003FE9

528-21-2 | 1-(2,3,4-Trihydroxyphenyl)ethanone

AG003FE9

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CAS Number	528-21-2
Catalog Number	AG003FE9(AGN-PC-0JK9NV)
Chemical Name	1-(2,3,4-Trihydroxyphenyl)ethanone
EC Number	208-430-2
IUPAC Name	1-(2,3,4-trihydroxyphenyl)ethanone
InChI	InChI=1S/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H3
InChI Key	XIROXSOOOAZHLL-UHFFFAOYSA-N
MDL Number	MFCD00002193
Molecular Formula	C8H8O4
Molecular Weight	168.1467
NSC Number	66553
SMILES	CC(C1=CC=C(O)C(O)=C1O)=O
UNII	C70E921C4P
Synonyms	gallacetophenone, Gallacetophenone, 528-21-2, 1-(2,3,4-Trihydroxyphenyl)ethanone, 2',3',4'-TRIHYDROXYACETOPHENONE, Galloacetophenone, Alizarin Yellow C, 2,3,4-Trihydroxyacetophenone, Alizarine Yellow C, Ethanone, 1-(2,3,4-trihydroxyphenyl)-, 4-Acetylpyrogallol, C.I. 57000, NSC 66553, Acetophenone, 2',3',4'-trihydroxy-, UNII-C70E921C4P, 1-(2,3,4-Trihydroxyphenyl)ethan-1-one, 2,3,4-Trihydroxyacetophenone oxime, EINECS 208-430-2, CHEMBL242540, XIROXSOOOAZHLL-UHFFFAOYSA-N, C70E921C4P, MFCD00002193, 1-acetyl-2,3,4-trihydroxybenzene, Gallacetophenon, Acetophenone, 2,3,4-trihydroxy-, PubChem3246, Gallacetophenone, 97%, AC1L1VRW, AC1Q1JHR, 2,4-Trihydroxyacetophenone, WLN: QR BQ CQ DV1, SCHEMBL105704, ACMC-209l21, 4-Acetylbenzene-1,2,3-triol, DTXSID2060179, 2,4-Trihydroxyacetophenone oxime, Acetophenone,3',4'-trihydroxy-, CTK4J6571, Ethanone,3,4-trihydroxyphenyl)-, ZINC156821, ALBB-015601, KS-000014EE, NSC66553, Acetophenone, 2,3,4-trihydroxy-,, 2', 3', 4'-trihydroxyacetophenone, ANW-31559, BBL027373, BDBM50234652, CG-021, HTS001839, NSC-66553, SBB058153, STK519460, AKOS002214745, ACN-049222, BS-3913, MCULE-2947155299, VZ21769, 1-(2,3,4-trihydroxy-phenyl)-ethanone, Ethanone,1-(2,3,4-trihydroxyphenyl)-, 1-(2,3,4-trihydroxyphenyl)-1-ethanone, 1-[2,3,4-tris(oxidanyl)phenyl]ethanone, 29477-54-1, AN-45582, BP-12555, LS-13726, ZB006449, C.I.57000, TC-120304, FT-0632303, R1036, ST45210508, 2\',3\',4\'-TRIHYDROXYACETOPHENONE, A829268, S01-0443, W-105794, Z57124116, InChI=1/C8H8O4/c1-4(9)5-2-3-6(10)8(12)7(5)11/h2-3,10-12H,1H, C8H8O4, C8-H8-O4, CID10706, T1198, 2',3',4'-Trihydroxyacetophenone, 98% - 25G 25g,

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	H315-H319
Packing Group
Precautionary statements	P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
UN Code

Certificate of Analysis

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