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

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

CAS No: 528-21-2 Catalog No: AG003FE9 MDL No:MFCD00002193

Product Description

Catalog Number:

AG003FE9

Chemical Name:

1-(2,3,4-Trihydroxyphenyl)ethanone

CAS Number:

528-21-2

Molecular Formula:

C8H8O4

Molecular Weight:

168.1467

MDL Number:

MFCD00002193

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

SMILES:

CC(=O)c1ccc(c(c1O)O)O

EC Number:

208-430-2

UNII:

C70E921C4P

NSC Number:

66553

Properties

Complexity:

180

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.148g/mol

Monoisotopic Mass:

168.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

77.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Synthesis and antioxidant activity of new pyridines containing gallate moieties.	Archiv der Pharmazie 20100901
Pyrogallol and its analogs can antagonize bacterial quorum sensing in Vibrio harveyi.	Bioorganic & medicinal chemistry letters 20080301
Inhibition of inducible nitric oxide synthase and cyclooxygenase-2 activity by 1,2,3,4,6-penta-O-galloyl-beta-D-glucose in murine macrophage cells.	Archives of pharmacal research 20031001
Sodium-tolerant matrix for matrix-assisted laser desorption/ionization mass spectrometry and post-source decay of oligonucleotides.	Rapid communications in mass spectrometry : RCM 20020101