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
   -4.5324    0.7914   -0.7093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9217   -0.3120    0.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139   -0.1692    0.0874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7438   -1.0879    0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3294   -2.0114    1.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2660   -1.0110    0.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215   -0.0382    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7751    0.0858    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736    1.1423   -0.5347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7399    1.2983   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5974    0.4406    0.0927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0238   -0.5998    0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6348   -0.7639    0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218    1.5659   -1.0265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2733    1.3164   -0.0413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0526    0.4146   -1.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3161   -0.3537    1.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1428   -1.2784   -0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2585   -1.7678    1.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2860    0.6817   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7090    1.8249   -1.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1931    2.1308   -1.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6664    0.5836    0.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6741   -1.2917    1.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2324   -1.5915    1.3738 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