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
    3.8290    0.2023    0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091   -0.7484    0.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6620   -0.7383    0.5286 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872   -1.6549    1.0566 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435    0.2721   -0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    0.2803   -0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0836   -0.3373   -1.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760   -0.3532   -1.3194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1923    0.2715   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5674    0.8915    0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1816    0.9003    0.8249 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4104    1.0487   -0.4845 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9055    0.1611    0.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5944   -1.5582    1.0963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4640   -0.8081   -1.9712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363   -0.8459   -2.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2650    0.2704   -0.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605    1.3695    1.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692    1.3768    1.6409 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