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
    4.0096    0.4901    0.4076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0639    0.4565   -0.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6898    0.2395   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4169    0.0860    1.1140 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6663    0.2009   -1.0660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195   -0.0122   -0.5857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4007    1.0614   -0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672    0.8071    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1733   -0.4767    0.3663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3447   -1.5156    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0676   -1.3056   -0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387    0.6544    0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7346    0.3548    1.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3020    0.5910   -1.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0282    2.0994   -0.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3176    1.6398    0.5227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1769   -0.6595    0.7404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6992   -2.5494    0.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269   -2.1618   -0.7622 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