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2-Acetyl-1-naphthol

CAT: 0804-HY-W095147-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W095147-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Acetyl-1-naphthol (compound 32) is a naphthol derivative with no HDAC inhibitor activity[1].
CAS Number
711-79-5
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Others
Related Pathways
Others
Field of Research
Others
Purity
98.19
Smiles
O=C(C=1C=CC=2C=CC=CC2C1O)C
Molecular Formula
C12H10O2
Molecular Weight
186.21
Precautions
H315, H319, H335
References & Citations
[1]Bora-Tatar G, et al. Molecular modifications on carboxylic acid derivatives as potent histone deacetylase inhibitors: Activity and docking studies. Bioorg Med Chem. 2009 Jul 15;17 (14) :5219-28.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

1'-Hydroxy-2'-acetonaphthone

a fluorescent proton transfer probe; structure in first source

CAS Number711-79-5
PubChem CID69733
IUPAC Name1-(1-hydroxynaphthalen-2-yl)ethanone
Molecular FormulaC12H10O2
Molecular Weight186.21
XLogP2.8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity224
SMILES
CC(=O)C1=C(C2=CC=CC=C2C=C1)O
InChI
InChI=1S/C12H10O2/c1-8(13)10-7-6-9-4-2-3-5-11(9)12(10)14/h2-7,14H,1H3
InChIKey
JBGJVMVWYWUVOW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1'-Hydroxy-2'-acetonaphthone
CAS: 711-79-5
CID: 69733
Formula: C12H10O2
MW: 186.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.21
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass186.068079557
Monoisotopic Mass186.068079557
Topological Polar Surface Area37.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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