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
   -4.5703    0.7290   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9163   -0.6265    0.0551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006   -0.3904    0.0374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6279   -1.4616    0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -2.5953    0.3034 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1776   -1.2133    0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3208   -0.0198    0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480    0.2257   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6822   -0.7714    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0639   -0.5476    0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4858    0.7529   -0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800    1.7960   -0.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382    1.5286   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605    1.4004    0.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2098    1.1475   -1.0724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6752    0.6674   -0.0635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2432   -1.0702    0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2193   -1.2543   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4442   -2.0783    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3459    0.8216   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3823   -1.7985    0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7710   -1.3604    0.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5475    0.9848   -0.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9883    2.7960   -0.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5213    2.3380   -0.2588 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