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
    3.7458    0.3809   -0.5150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1748   -0.6413    0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7344   -0.7699    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2238   -1.7691    0.8058 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9220    0.2331   -0.2234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4681    0.2079   -0.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0406    0.7629    1.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4055    0.7745    1.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991    0.2251    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6233   -0.3322   -0.8833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625   -0.3399   -1.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1379    1.1801   -0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070    0.4340   -0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7976   -1.4355    0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3662    1.1951    1.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8418    1.2074    2.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2721    0.2210    0.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2737   -0.7663   -1.6387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7903   -0.7679   -1.9403 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