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Menbutone

CAT: 1596-AR-M01364-05Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-M01364-05Size:150
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CAS Number
3562-99-0
Synonyms
4- (4-methoxynaphthalen-1-yl) -4-oxobutanoicacid;4-Methoxy-?-oxo-1-naphthalenebutanoic Acid; 3- (4-Methoxy-1-naphthoyl) propionic Acid; 4- (4-Methoxynaphthalen-1-yl) -4-oxobutanoic Acid; Epanaftol; Fel-bis; Genabil; Genabilic Acid; Genabilin; Icteryl; Ido-Genabil; Menbuton; NSC 53969; Nafto-Epatina; Naftobil; Sintobilina; Menbutone
Molecular Formula
C15H14O4
Molecular Weight
258.27
API Name
Menbutone

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

Alternative Products

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

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