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2- (Methoxymethoxy) benzonitrile

CAT: 0127-OR941401-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR941401-01Size:250 mg
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CAS Number
494209-23-3
MDL Number
MFCD18826226
Purity
95%
Smiles
COCOc1ccccc1C#N

Chemical Information

2-(Methoxymethoxy)benzonitrile
CAS Number494209-23-3
PubChem CID10352018
IUPAC Name2-(methoxymethoxy)benzonitrile
Molecular FormulaC9H9NO2
Molecular Weight163.17
XLogP1.9
Topological Polar Surface Area42.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity173
SMILES
COCOC1=CC=CC=C1C#N
InChI
InChI=1S/C9H9NO2/c1-11-7-12-9-5-3-2-4-8(9)6-10/h2-5H,7H2,1H3
InChIKey
CAZBPZZSKGBVTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Methoxymethoxy)benzonitrile
CAS: 494209-23-3
CID: 10352018
Formula: C9H9NO2
MW: 163.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.17
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass163.063328530
Monoisotopic Mass163.063328530
Topological Polar Surface Area42.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity173
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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