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
    3.7652   -1.0020   -0.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2136   -0.2442    0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7978    0.0643    0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3327    0.7936    1.3284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8732   -0.3994   -0.5013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4835   -0.0922   -0.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    1.0205   -1.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3237    1.3684   -1.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2191    0.5724   -0.3584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7334   -0.5440    0.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3839   -0.8771    0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1913   -1.4524   -1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8132   -1.2063   -0.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8565    0.1616    1.1354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3135    1.6632   -1.6415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7132    2.2512   -1.5698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2641    0.8315   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4292   -1.1572    0.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9890   -1.7518    0.7545 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