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3-[2- (2-methoxyethoxy) ethoxy]prop-1-ene

CAT: 1266-JH130504Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH130504Size:1 Each
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CAS Number
13752-97-1
UN Code
UN 2810
Hazard Statement
Xn
Stability
Stable under normal temperatures and pressures.
Molecular Formula
C8H16O3
Molecular Weight
160.21
Product Name Synonym
1-Propene,3-[2- (2-methoxyethoxy) ethoxy]
Physical Properties
WHITE TO YELLOW POWDER, CRYSTALS, SOLID CRYSTALLINE POWDER AND/OR CHUNKS
Hazardous Class
5.1
Safety Statements
S26; S36/37
Density
0.913g/cm3
Flash Point
132.3oC
RIDADR
UN 2810
Melting Point
125oC

Chemical Information

1-Propene, 3-(2-(2-methoxyethoxy)ethoxy)-
CAS Number13752-97-1
PubChem CID547704
IUPAC Name3-[2-(2-methoxyethoxy)ethoxy]prop-1-ene
Molecular FormulaC8H16O3
Molecular Weight160.21
XLogP0.4
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count11
Formal Charge0
Complexity83
SMILES
COCCOCCOCC=C
InChI
InChI=1S/C8H16O3/c1-3-4-10-7-8-11-6-5-9-2/h3H,1,4-8H2,2H3
InChIKey
YTTILRPAYBZIKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Propene, 3-(2-(2-methoxyethoxy)ethoxy)-
CAS: 13752-97-1
CID: 547704
Formula: C8H16O3
MW: 160.21
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight160.21
XLogP30.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass160.109944368
Monoisotopic Mass160.109944368
Topological Polar Surface Area27.7 Ų
Heavy Atom Count11
Formal Charge0
Complexity83.4
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