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
    3.7633    0.4477    0.4036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2067   -0.3374   -0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7769   -0.4727   -0.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362   -1.2159   -1.3808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9138    0.1661    0.2975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4508    0.0538    0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1084    0.9758   -0.5486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4811    0.9887   -0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439    0.0649    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5787   -0.8400    0.8338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006   -0.8458    0.9568 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311    0.5453    0.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1561    0.9907    1.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8427   -0.8753   -1.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5591    1.7199   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9801    1.7026   -1.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3256    0.0609   -0.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1293   -1.5805    1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -1.5488    1.5865 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