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
    4.0916   -0.3070    0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1624    0.0806   -0.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7398   -0.0084   -0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3699   -0.4577    1.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7471    0.3972   -0.9487 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5685    0.2952   -0.5751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2291   -0.8823   -0.8732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5544   -1.0791   -0.5374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2556   -0.0861    0.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6110    1.1075    0.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2860    1.2674    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1310   -0.2371    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7861   -0.6991    1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4502    0.4698   -1.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7054   -1.6912   -1.3884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0311   -2.0117   -0.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2865   -0.2169    0.3844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1663    1.8737    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7844    2.1852    0.3086 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