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
    5.0879    0.6341    0.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0901   -0.4557   -0.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7963    0.0969    0.0840 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6962   -0.6795   -0.1625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336   -1.8774   -0.4650 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3583   -0.1149   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7130   -0.8383   -0.3055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407   -0.2798   -0.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1676   -1.0819   -0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4412   -0.5810   -0.3975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6439    0.7409   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5899    1.5598    0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3039    1.0207    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5805    1.5879    0.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7110    0.3715    1.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7454    0.8513   -0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2354   -0.8900   -1.0094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2019   -1.2602    0.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3007    0.9364    0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5989   -1.8794   -0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   -2.1102   -0.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3288   -1.1977   -0.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6480    1.1239   -0.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6914    2.6143    0.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4840    1.7083    0.3173 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