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2-Ethoxy-3-propoxypyridine

CAT: 0127-OR909396-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR909396-01Size:1 g
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CAS Number
1330750-35-0
MDL Number
MFCD19981543
Purity
98%
Smiles
CCCOc1cccnc1OCC

Chemical Information

2-Ethoxy-3-propoxypyridine
CAS Number1330750-35-0
PubChem CID54758820
IUPAC Name2-ethoxy-3-propoxypyridine
Molecular FormulaC10H15NO2
Molecular Weight181.23
XLogP2.4
Topological Polar Surface Area31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count13
Formal Charge0
Complexity130
SMILES
CCCOC1=C(N=CC=C1)OCC
InChI
InChI=1S/C10H15NO2/c1-3-8-13-9-6-5-7-11-10(9)12-4-2/h5-7H,3-4,8H2,1-2H3
InChIKey
PJAQCUKZLHHQBT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethoxy-3-propoxypyridine
CAS: 1330750-35-0
CID: 54758820
Formula: C10H15NO2
MW: 181.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.23
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass181.110278721
Monoisotopic Mass181.110278721
Topological Polar Surface Area31.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity130
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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