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
    3.7415   -0.8870    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866   -0.0204   -0.7434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7549    0.2512   -0.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1932    1.0717   -1.4514 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9231   -0.3871    0.2395 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4367   -0.1104    0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203   -0.8419   -0.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806   -0.6058   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2096    0.3944    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3279    1.1298    1.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9705    0.8921    1.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1356   -1.4233    0.8295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8093   -1.0711    0.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7897    0.4882   -1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9539   -1.6487   -1.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3597   -1.2035   -1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2822    0.5933    0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7287    1.9208    1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2637    1.4577    1.6597 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