Monomers

Methyl 2-phenylacrylate

Identifiers

IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.8728
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

 22 22  0  0  0  0  0  0  0  0999 V2000
   -4.1046    0.3024    0.5306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9987    0.1906   -0.3662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6936    0.1361    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4797    0.1856    1.3180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5617    0.0210   -0.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8394   -0.0385   -2.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8282   -0.0580   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819   -0.6987   -1.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1217   -0.7738   -0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539   -0.2076    0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6246    0.4265    1.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3008    0.4973    0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6864   -0.6338    0.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7224    0.3555    1.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6764    1.2105    0.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8746   -0.0003   -2.4419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0215   -0.1127   -2.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4579   -1.1626   -2.1053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622   -1.2727   -1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6011   -0.2625    0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398    0.8753    2.0782 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5868    1.0203    1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers