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
   -3.7248   -0.0759    0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096    0.4143   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    0.3748   -0.7679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606    0.8204   -1.7909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9242   -0.1560    0.2131 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4582   -0.2027    0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626    0.8854    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495    0.9339    0.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2217   -0.1274   -0.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956   -1.2090   -0.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1154   -1.2618   -0.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255   -0.4950    1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7904   -0.0538    0.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254    0.8341   -1.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6367    1.7190    1.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0466    1.8206    0.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -0.0899   -0.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957   -2.0440   -0.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5332   -2.0868   -0.8206 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