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
   -3.7638   -0.3709    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2247    0.0112   -0.4632 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7817    0.1128   -0.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2126    0.4789   -1.6518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9141   -0.1757    0.4730 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4611   -0.0757    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0751    1.1165    0.6632 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4484    1.2542    0.5607 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898    0.1611    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6136   -1.0423   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2282   -1.1177   -0.0452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1607   -0.6125    1.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8478   -0.4567    0.7839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8591    0.2430   -1.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332    1.9903    0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9708    2.1692    0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755    0.2704    0.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2005   -1.8950   -0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7685   -2.0612   -0.2890 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