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(E) -Ethyl 3- (benzyloxy) acrylate

CAT: 0127-OR1059046-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1059046-01Size:100 mg
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CAS Number
168846-45-5
MDL Number
MFCD19440766
Purity
97%
Smiles
O=C(OCC)/C=C/OCC1=CC=CC=C1

Chemical Information

(E)-ethyl 3-(benzyloxy)acrylate
CAS Number168846-45-5
PubChem CID14940602
IUPAC Nameethyl (E)-3-phenylmethoxyprop-2-enoate
Molecular FormulaC12H14O3
Molecular Weight206.24
XLogP2.2
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity205
SMILES
CCOC(=O)/C=C/OCC1=CC=CC=C1
InChI
InChI=1S/C12H14O3/c1-2-15-12(13)8-9-14-10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/b9-8+
InChIKey
YDELNQUDLFIEOJ-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of (E)-ethyl 3-(benzyloxy)acrylate
CAS: 168846-45-5
CID: 14940602
Formula: C12H14O3
MW: 206.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight206.24
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass206.094294304
Monoisotopic Mass206.094294304
Topological Polar Surface Area35.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity205
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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