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H18801

Sigma-Aldrich

3′-Hydroxyacetophenone

97%

Synonym(s):

1-(3-Hydroxyphenyl)ethanone, 3-Acetylphenol, 3-Hydroxyphenylethanone, m-Hydroxyacetophenone

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About This Item

Linear Formula:
HOC6H4COCH3
CAS Number:
121-71-1
Molecular Weight:
136.15
Beilstein/REAXYS Number:
2040676
EC Number:
204-494-0
MDL number:
MFCD00002298
UNSPSC Code:
12352100
PubChem Substance ID:
24895488
NACRES:
NA.22

Quality Level

100

assay

97%

bp

296 °C (lit.)

mp

90-95 °C (lit.)

density

1.1 g/mL at 25 °C (lit.)

SMILES string

CC(=O)c1cccc(O)c1

InChI

1S/C8H8O2/c1-6(9)7-3-2-4-8(10)5-7/h2-5,10H,1H3

InChI key

LUJMEECXHPYQOF-UHFFFAOYSA-N

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pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

247.3 °F - closed cup

flash_point_c

119.6 °C - closed cup

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Takashi Otani et al.
Bioorganic & medicinal chemistry letters, 18(12), 3582-3584 (2008-05-31)
m-Acetylphenyl-beta-d-glucopyranosides and m-acetylphenyl-alpha/beta-d-mannopyranosides were synthesized by the Koenigs-Knorr, Mitsunobu, and Helferich reactions as key glycosylation reactions, respectively. Their spectroscopic properties and antioxidative activities were characterized as potential ultraviolet B-ray absorbents.
Stefania Ferrari et al.
Journal of medicinal chemistry, 54(1), 211-221 (2010-12-04)
Folate analogue inhibitors of Leishmania major pteridine reductase (PTR1) are potential antiparasitic drug candidates for combined therapy with dihydrofolate reductase (DHFR) inhibitors. To identify new molecules with specificity for PTR1, we carried out a virtual screening of the Available Chemicals
Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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