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
    4.0444   -0.0205    0.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1300    0.6345    0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7517    0.1973    0.1314 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4441   -0.8135    0.8015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7136    0.8252   -0.5311 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5690    0.3494   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3561    0.8407    0.5777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6713    0.4074    0.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2250   -0.5133   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4217   -1.0044   -1.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1232   -0.5725   -1.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7731   -0.8833    1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0613    0.2976    0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3897    1.5006   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0059    1.5715    1.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3074    0.7853    1.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2417   -0.8803   -0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8337   -1.7342   -1.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5528   -0.9874   -2.1035 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