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
    4.3769    1.0708   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8441   -0.3327   -0.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376   -0.2704   -0.3567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6646    0.4219   -1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1971    1.0440   -2.2039 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2117    0.4124   -1.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2895   -0.2585   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7163   -0.3162    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6316    0.3110   -0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9880    0.2059   -0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4307   -0.5144    0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5122   -1.1421    1.5515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1652   -1.0536    1.2747 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4120    1.0870    0.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7574    1.6426    0.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2932    1.5504   -1.3021 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1742   -0.9728    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1261   -0.8337   -1.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295    0.9514   -1.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141   -0.7773    0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3381    0.8926   -1.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6829    0.7301   -0.9874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4883   -0.5831    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8217   -1.7247    2.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4149   -1.5405    1.8851 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