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2-Ethylhexyl Methacrylate

CAT: 0127-OR1010443-01Size: 500 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1010443-01Size:500 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
688-84-6
MDL Number
MFCD00009494
Purity
98%
Smiles
CCCCC(CC)COC(=O)C(C)=C

Chemical Information

2-Ethylhexyl methacrylate
CAS Number688-84-6
PubChem CID12713
IUPAC Name2-ethylhexyl 2-methylprop-2-enoate
Molecular FormulaC12H22O2
Molecular Weight198.30
XLogP4.5
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count14
Formal Charge0
Complexity185
SMILES
CCCCC(CC)COC(=O)C(=C)C
InChI
InChI=1S/C12H22O2/c1-5-7-8-11(6-2)9-14-12(13)10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKey
WDQMWEYDKDCEHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethylhexyl methacrylate
CAS: 688-84-6
CID: 12713
Formula: C12H22O2
MW: 198.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight198.30
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass198.161979940
Monoisotopic Mass198.161979940
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity185
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

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