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
   -4.5978    0.4899    0.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8075    0.0029   -0.5934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4304    0.0019   -0.4212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7527   -0.7078    0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446   -1.4005    1.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070   -0.6188    0.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3666    0.1218   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8178    0.2653   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515    1.0711   -1.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074    1.2056   -1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6022    0.5405   -0.2247 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9716   -0.2524    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820   -0.3972    0.7015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5233    0.9836    0.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0916    1.2729    1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9184   -0.3790    1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0280    0.6496   -1.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1535   -1.0368   -0.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811   -1.1854    1.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2243    0.6680   -0.9835 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8028    1.5707   -1.8649 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2911    1.8301   -1.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727    0.6402   -0.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5556   -0.7845    1.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1767   -1.0443    1.4634 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