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2-Isopropoxypyridine

CAT: 0127-OR901593-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR901593-01Size:250 mg
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CAS Number
16096-13-2
MDL Number
MFCD11113404
Purity
98%
Smiles
CC(C)Oc1ccccn1

Chemical Information

2-Isopropoxypyridine
CAS Number16096-13-2
PubChem CID11073490
IUPAC Name2-propan-2-yloxypyridine
Molecular FormulaC8H11NO
Molecular Weight137.18
XLogP2.2
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity93
SMILES
CC(C)OC1=CC=CC=N1
InChI
InChI=1S/C8H11NO/c1-7(2)10-8-5-3-4-6-9-8/h3-7H,1-2H3
InChIKey
IFZZDINNCWFGEO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Isopropoxypyridine
CAS: 16096-13-2
CID: 11073490
Formula: C8H11NO
MW: 137.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight137.18
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass137.084063974
Monoisotopic Mass137.084063974
Topological Polar Surface Area22.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity93.3
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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