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
    3.4454    1.5447   -0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8580    1.0700    1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5396    0.4913    0.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9334    0.0215    1.9646 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8787    0.4312   -0.2480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3839   -0.1206   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5359   -1.4639   -0.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101   -2.0116   -0.6732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9003   -1.1825   -0.4993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7552    0.1797   -0.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4748    0.6991   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9409    1.5038   -0.9805 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4316    1.9726    0.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3748    1.1182    1.9797 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191   -2.1395   -0.7289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9593   -3.0719   -0.8728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8957   -1.6136   -0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6234    0.8127   -0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3828    1.7587    0.0380 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