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
   -3.9732    1.2043    0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862    0.1516    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7505    0.3527    0.1469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547    1.5081    0.1575 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8771   -0.7128    0.0405 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4946   -0.5926   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -0.5786    1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6720   -0.4574    0.9881 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440   -0.3507   -0.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827   -0.3615   -1.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1146   -0.4832   -1.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671    2.2151    0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0644    1.0663    0.4162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6063   -0.8348    0.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778   -0.6593    2.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2878   -0.4476    1.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3255   -0.2533   -0.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9694   -0.2752   -2.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5285   -0.4911   -2.1690 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