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
   -3.6251   -0.0984    0.9596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1452   -0.5247   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7271   -0.4385   -0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2408   -0.8414   -1.5375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8992    0.0961    0.5181 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4609    0.1682    0.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2828   -0.8954    0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380   -0.8472    0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1210    0.2931   -0.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3093    1.3577   -0.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9555    1.3065   -0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9643    0.3168    1.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7052   -0.1663    1.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7921   -0.9419   -0.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8759   -1.7800    1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2821   -1.6742    0.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1925    0.3217   -0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021    2.2358   -1.1106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2789    2.1121   -0.6174 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