Monomers

Phenyl acrylate

Identifiers

IUPAC name
phenyl prop-2-enoate
InchI
InChI=1S/C9H8O2/c1-2-9(10)11-8-6-4-3-5-7-8/h2-7H,1H2
InchI Key
WRAQQYDMVSCOTE-UHFFFAOYSA-N
SMILES
C=CC(=O)Oc1ccccc1
Canonical SMILES
C=CC(=O)OC1=CC=CC=C1
Isomeric SMILES
C=CC(=O)OC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
26.3
MolLogP
1.778
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

 19 19  0  0  0  0  0  0  0  0999 V2000
    3.7584    0.4827    0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1933    0.6333   -0.4858 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7442    0.4287   -0.6635 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1993    0.5713   -1.7867 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269    0.0729    0.3940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404   -0.1276    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9661   -1.3706   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3286   -1.5523   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2310   -0.5222   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7050    0.7157    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3444    0.9041    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8153    0.6310    0.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1973    0.2046    1.5810 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8206    0.9106   -1.3175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479   -2.1832   -0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7274   -2.5218   -0.4076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3057   -0.6831   -0.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4190    1.5338    0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397    1.8723    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers