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2-[ (2-Methoxyethoxy) methyl]oxirane

CAT: 0926-NAA48349-01Size: 0.5 gDry Ice: NoHazardous: No
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CAT#:0926-NAA48349-01Size:0.5 g
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CAS Number
13483-49-3
MDL Number
MFCD09802389
Smiles
COCCOCC1CO1
Molecular Formula
C6H12O3
Molecular Weight
132.16 g/mol
Controlled
No

Chemical Information

2-((2-Methoxyethoxy)methyl)oxirane
CAS Number13483-49-3
PubChem CID234734
IUPAC Name2-(2-methoxyethoxymethyl)oxirane
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP-0.4
Topological Polar Surface Area31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity74
SMILES
COCCOCC1CO1
InChI
InChI=1S/C6H12O3/c1-7-2-3-8-4-6-5-9-6/h6H,2-5H2,1H3
InChIKey
KQXZMAACKJIRJE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((2-Methoxyethoxy)methyl)oxirane
CAS: 13483-49-3
CID: 234734
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight132.16
XLogP3-0.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area31 Ų
Heavy Atom Count9
Formal Charge0
Complexity74.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes