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
    3.3798    3.0578   -1.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861    1.6040   -1.6418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338    0.7615   -0.9003 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3540    0.8336   -0.9957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8838    1.6940   -1.7825 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5261   -0.0643   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7873   -0.0467   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6557   -0.9325    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1889   -1.8871    1.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545   -2.7007    2.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4228   -2.5745    1.9744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9080   -1.6267    1.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464   -0.8228    0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2914    3.6314   -2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5564    3.2495   -0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3068    3.4317   -0.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6309    1.2774   -1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4243    1.4232   -2.7136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0021   -0.7681    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2432    0.6817   -0.9158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1380   -2.0054    1.5333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7044   -3.4571    2.8087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1212   -3.1959    2.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9900   -1.4971    0.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153   -0.0670   -0.2881 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