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Menbutone

CAT: 0013-GTR19177287-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19177287-02Size:1 ml x 10 mM (in DMSO)
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Description
Menbutone
CAS Number
3562-99-0
Product Name Alternative
Naftobil, inhibit, Menbutone, Genabilin, Genabilic acid, Inhibitor
Field of Research
Pharmacology & Drug Discovery
Purity
97.48% (May vary between batches)
Solubility
DMSO:50 mg/mL (193.6 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (7.74 mM)
Smiles
C (CCC (O) =O) (=O) C=1C2=C (C (OC) =CC1) C=CC=C2
Molecular Formula
C15H14O4
Molecular Weight
258.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Menbutone

Menbutone is a butanone.

CAS Number3562-99-0
PubChem CID71818
IUPAC Name4-(4-methoxynaphthalen-1-yl)-4-oxobutanoic acid
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP2.3
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity339
SMILES
COC1=CC=C(C2=CC=CC=C21)C(=O)CCC(=O)O
InChI
InChI=1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18)
InChIKey
FHGJSJFIQNQBCK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Menbutone
CAS: 3562-99-0
CID: 71818
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area63.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity339
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

Related Products

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MBS3604221-01Menbutone
A17463-1000Menbutone 1g
A17463-500Menbutone 500mg
A17463-5000Menbutone 5g
A17463-100Menbutone 100mg
AR-M04184-01Menbutone Diethanolamine Salt
A17463-10mM-DMenbutone 10mM * 1mL in DMSO

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