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
    4.6208   -0.1067   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8323   -0.5008    0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.3790    0.5689 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7924    0.7712    0.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4508    1.8290    0.1159 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3451    0.8356    0.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3702   -0.2671    0.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8183   -0.3207   -0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4493   -1.5367    0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8026   -1.6894    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6019   -0.6093   -0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9798    0.6062   -0.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5961    0.7493   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -0.6830   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106    0.9879   -0.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6696   -0.4242   -0.3696 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0389   -1.5569    1.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2056    0.1109    1.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1461    1.7684   -0.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1598   -1.1785    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797   -2.4344    0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548   -2.6760    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6663   -0.7508   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5703    1.4717   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1399    1.7291   -0.4728 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