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
    4.1147    0.0102    0.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8724   -0.6338    0.1232 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533    0.0250    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6645    1.2575    0.1888 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4344   -0.7179   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4828   -2.0326   -0.1580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8607   -0.0815   -0.0928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0449    1.2091   -0.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3062    1.8279   -0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3888    1.1105   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2205   -0.1861    0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9818   -0.7915    0.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0125    1.0158    0.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5081    0.2011   -0.7525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8604   -0.6117    0.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3598   -2.6748   -0.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4498   -2.5098   -0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1973    1.7694   -0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3801    2.8477   -0.8648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3801    1.5410   -0.0462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0911   -0.7663    0.7223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8416   -1.8092    0.7019 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