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Ethyl 3-mesitylacrylate

CAT: 0127-OR1094105Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
84001-90-1
Smiles
C1c (cc (c (c1C) /C=C/C (=O) OCC) C) C

Chemical Information

Ethyl (2E)-3-(2,4,6-trimethylphenyl)-2-propenoate
CAS Number84001-90-1
PubChem CID11031315
IUPAC Nameethyl (E)-3-(2,4,6-trimethylphenyl)prop-2-enoate
Molecular FormulaC14H18O2
Molecular Weight218.29
XLogP3.7
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity245
SMILES
CCOC(=O)/C=C/C1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C14H18O2/c1-5-16-14(15)7-6-13-11(3)8-10(2)9-12(13)4/h6-9H,5H2,1-4H3/b7-6+
InChIKey
QTLOYKCWYODNOC-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of Ethyl (2E)-3-(2,4,6-trimethylphenyl)-2-propenoate
CAS: 84001-90-1
CID: 11031315
Formula: C14H18O2
MW: 218.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight218.29
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass218.130679813
Monoisotopic Mass218.130679813
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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