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
   -3.5096   -0.2044    1.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197   -0.6423    1.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1159   -0.5261    1.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0971   -0.9523    1.9467 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0115    0.0430    0.0914 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2267    0.1523   -0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9923    1.2755   -0.3175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2473    1.4267   -0.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7323    0.4179   -1.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9642   -0.7116   -1.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7231   -0.8443   -1.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4889   -0.2816    1.8325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4096    0.2485    0.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5387   -1.0832    2.9615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6311    2.0911    0.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269    2.3273   -0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7112    0.5377   -2.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3573   -1.5125   -2.5642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1786   -1.7617   -1.5278 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