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
    3.7768    0.0198    0.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1510   -0.4260   -0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6951   -0.4401   -0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0232   -0.8458   -1.6046 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9223   -0.0033    0.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334    0.0142    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0372    1.1952    0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4027    1.3376    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1785    0.2899    0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5751   -0.8776    0.9459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2248   -1.0124    0.9413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1959    0.3660    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8585    0.0392    0.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6878   -0.7822   -1.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455    2.0242   -0.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8716    2.2456   -0.3379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2424    0.4239    0.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002   -1.6766    1.3057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6988   -1.8916    1.2829 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