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2,3-Epoxy-1- (1-ethoxyethoxy) propane

CAT: 0926-EAA41685-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-EAA41685-01Size:5 g
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CAS Number
4416-85-7
MDL Number
MFCD22575236
Smiles
CCOC (C) OCC1CO1
Molecular Formula
C7H14O3
Molecular Weight
146.18 g/mol
Shipping Conditions
Cool Pack
Controlled
No

Chemical Information

2,3-Epoxy-1-(1-ethoxyethoxy)propane
CAS Number4416-85-7
PubChem CID13096561
IUPAC Name2-(1-ethoxyethoxymethyl)oxirane
Molecular FormulaC7H14O3
Molecular Weight146.18
XLogP0.5
Topological Polar Surface Area31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count10
Formal Charge0
Complexity94
SMILES
CCOC(C)OCC1CO1
InChI
InChI=1S/C7H14O3/c1-3-8-6(2)9-4-7-5-10-7/h6-7H,3-5H2,1-2H3
InChIKey
LKOYNWCKHRXSKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,3-Epoxy-1-(1-ethoxyethoxy)propane
CAS: 4416-85-7
CID: 13096561
Formula: C7H14O3
MW: 146.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight146.18
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass146.094294304
Monoisotopic Mass146.094294304
Topological Polar Surface Area31 Ų
Heavy Atom Count10
Formal Charge0
Complexity94.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes