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
   -3.8729   -0.1919    1.2002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1188   -0.2217    0.1364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6901   -0.0860    0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1767    0.0602    1.3905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8857   -0.1150   -0.8435 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4921    0.0078   -0.8142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2220   -1.1578   -0.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008   -1.0365   -0.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2255    0.2023   -0.7518 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4403    1.3361   -0.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804    1.2454   -0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9358   -0.2934    1.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4358   -0.0664    2.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5720   -0.3478   -0.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7598   -2.1384   -0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2455   -1.8992   -0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3048    0.2760   -0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8950    2.3102   -0.9453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4214    2.1161   -1.0002 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