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
    4.5550   -0.1150    0.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7303    1.1204    0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708    0.8072    0.6289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8831    0.4166   -0.5883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6735    0.3264   -1.5555 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4548    0.0958   -0.8076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4124    0.1730    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8138   -0.1301   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6929   -0.0291    1.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0348   -0.3082    0.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5851   -0.7060   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7206   -0.8067   -1.3051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3595   -0.5259   -1.1975 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5543    0.0018    1.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0997   -1.0370    0.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6994   -0.2508   -0.5361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0959    1.9237    0.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8442    1.3725    1.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1785   -0.2019   -1.8079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0600    0.4824    1.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2658    0.2854    2.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6820   -0.2122    1.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6317   -0.9356   -0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1422   -1.1195   -2.2567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7387   -0.6273   -2.0814 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