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
   -3.9407    0.3906    0.8533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9593    0.2093   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7923    0.8372   -1.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4897    0.4032   -0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568   -0.5281    0.0571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3366    1.0608   -1.2629 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9261    0.9560   -1.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8371    0.1115   -0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5468   -1.0521    0.2187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5031   -1.7792    0.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7789   -1.3173    1.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1318   -0.1577    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1874    0.5204   -0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9751    0.6709    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2945    1.2441    1.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5682   -0.4985    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8701    0.5892   -1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9437   -0.8877   -0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954    1.9405   -1.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5193    1.7305   -1.8044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5579   -1.4626    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1670   -2.6976    1.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996   -1.8900    1.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756    0.1778    0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4918    1.4286   -0.7994 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