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
    4.5422    0.0968    0.2143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6702   -1.0847   -0.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2896   -0.7667   -0.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7747    0.2073   -0.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5373    0.8081   -1.6967 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3267    0.4953   -0.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3755   -0.2052    0.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7996    0.0184    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4625   -0.7500    1.0948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8063   -0.5926    1.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4771    0.3462    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8153    1.1212   -0.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4525    0.9420   -0.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1303   -0.0616    1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2783    0.2190   -0.6085 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9425    1.0316    0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8364   -1.8586    0.6524 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8973   -1.4821   -1.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1016    1.2581   -1.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1386   -0.9701    0.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9079   -1.5021    1.6940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3317   -1.1863    1.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5419    0.4778    0.6643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3182    1.8625   -1.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9738    1.5755   -1.3137 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