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Metoxadiazone

CAT: 0572-TRC-M338840-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M338840-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
60589-06-2
Synonyms
5-Methoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazolin-2-one; 32861; Elemic; RP 32861; RPJ 168; S 21074;
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
COC1=NN(C(=O)O1)c2ccccc2OC
Molecular Formula
C10 H10 N2 O4
Molecular Weight
222.197
InChI
InChI=1S/C10H10N2O4/c1-14-8-6-4-3-5-7(8)12-10(13)16-9(11-12)15-2/h3-6H,1-2H3
Additionnal Information
IUPAC name: 5-methoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-(2-Methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2(3H)-one

Metoxadiazone is a member of methoxybenzenes.

CAS Number60589-06-2
PubChem CID43365
IUPAC Name5-methoxy-3-(2-methoxyphenyl)-1,3,4-oxadiazol-2-one
Molecular FormulaC10H10N2O4
Molecular Weight222.20
XLogP1.9
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity305
SMILES
COC1=CC=CC=C1N2C(=O)OC(=N2)OC
InChI
InChI=1S/C10H10N2O4/c1-14-8-6-4-3-5-7(8)12-10(13)16-9(11-12)15-2/h3-6H,1-2H3
InChIKey
LTMQQEMGRMBUSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Methoxyphenyl)-5-methoxy-1,3,4-oxadiazol-2(3H)-one
CAS: 60589-06-2
CID: 43365
Formula: C10H10N2O4
MW: 222.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight222.20
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass222.06405680
Monoisotopic Mass222.06405680
Topological Polar Surface Area60.4 Ų
Heavy Atom Count16
Formal Charge0
Complexity305
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
OR1037238Metoxadiazone
HY-W587768RMetoxadiazone (Standard)

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