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3-Ethoxy-1-propanol

CAT: 0127-OR0975-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR0975-01Size:1 g
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CAS Number
111-35-3
MDL Number
MFCD00002948
Purity
99%
Smiles
CCOCCCO

Chemical Information

3-Ethoxy-1-propanol

3-ethoxy-1-propanol is a hydroxyether that is propan-1-ol substituted by an ethoxy group at position 3. It has a role as a metabolite. It is a member of propan-1-ols and a hydroxyether.

CAS Number111-35-3
PubChem CID8109
IUPAC Name3-ethoxypropan-1-ol
Molecular FormulaC5H12O2
Molecular Weight104.15
XLogP0.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity29
SMILES
CCOCCCO
InChI
InChI=1S/C5H12O2/c1-2-7-5-3-4-6/h6H,2-5H2,1H3
InChIKey
XHMWPVBQGARKQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxy-1-propanol
CAS: 111-35-3
CID: 8109
Formula: C5H12O2
MW: 104.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.15
XLogP30.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass104.083729621
Monoisotopic Mass104.083729621
Topological Polar Surface Area29.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity29.3
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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