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

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
    4.0443   -0.2559    0.7522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0879   -0.6069   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6973   -0.2336    0.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4082    0.4349    1.1734 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6725   -0.5847   -0.7071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6183   -0.1700   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1278    1.0355   -0.8018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4103    1.3855   -0.4386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699    0.5387    0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6501   -0.6736    0.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3746   -1.0166    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7588    0.3182    1.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0661   -0.5374    0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3423   -1.1864   -0.9721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5030    1.6865   -1.4187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8001    2.3379   -0.7812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1803    0.8299    0.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2638   -1.3309    1.3825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9791   -1.9710    0.7443 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