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
   -4.6570   -0.2355   -0.6592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0464   -1.3360    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465   -1.4445   -0.0179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7709   -0.4159    0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    0.6637    0.6996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3300   -0.5164    0.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478    0.5072    0.3602 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963    0.5150    0.2124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079    1.6512    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    1.6772    0.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6532    0.5804   -0.0510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625   -0.5409   -0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.5698   -0.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4293    0.7545   -0.2134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3796   -0.2977   -1.7292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7606   -0.3592   -0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2807   -1.1135    1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5036   -2.3133   -0.0939 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0915   -1.4357   -0.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0247    1.4096    0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0518    2.5242    0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5343    2.5771    0.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7341    0.6289   -0.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4876   -1.4166   -0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832   -1.4940   -0.5276 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