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
    4.1170    0.1404    0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0614   -0.6123    0.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7511   -0.1411    0.3198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6512    0.9813   -0.2310 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5849   -0.8575    0.5097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6607   -0.4124    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1501   -0.6960   -1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3941   -0.2714   -1.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1995    0.4659   -0.7053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7174    0.7556    0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4545    0.3229    0.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1266   -0.1853    0.7847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9998    1.1159    0.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2256   -1.5671    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5240   -1.2746   -1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7770   -0.4992   -2.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1940    0.8151   -1.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3171    1.3335    1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1292    0.5864    1.9913 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