Monomers

Ethyl 3-phenylprop-2-enoate

Identifiers

IUPAC name
ethyl 3-phenylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InchI Key
KBEBGUQPQBELIU-UHFFFAOYSA-N
SMILES
CCOC(=O)C=Cc1ccccc1
Canonical SMILES
CCOC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
CCOC(=O)C=CC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2629
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 25 25  0  0  0  0  0  0  0  0999 V2000
   -4.6820   -0.6335    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0861    0.1783    1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856    0.0004    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8210    0.3028    0.1944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2824    0.7514   -0.8653 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3666    0.0956    0.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4580    0.3777   -0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8979    0.1862   -0.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7479    0.5040   -1.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1033    0.3467   -1.4840 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6871   -0.1546   -0.3179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8683   -0.4708    0.7309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4913   -0.3080    0.6654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6574   -0.0546   -0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1003   -1.5655   -0.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7522   -0.8469    0.2967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5259   -0.2139    2.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3515    1.2558    1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0177   -0.2942    1.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0889    0.7744   -1.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2712    0.8884   -2.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7476    0.5999   -2.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7674   -0.2814   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2993   -0.8583    1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9004   -0.5799    1.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers