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
    4.0948    0.5331    0.8431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0682    0.9031    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7433    0.3479    0.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5761   -0.5001    1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571    0.7090   -0.4380 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6210    0.2250   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5605    0.8141    0.5434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8370    0.2761    0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1950   -0.8506   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2704   -1.4466   -0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0212   -0.8949   -0.9891 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9297   -0.1935    1.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0837    0.9271    0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2640    1.6381   -0.6721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2908    1.6938    1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5391    0.7647    1.3089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2092   -1.2365    0.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5676   -2.3329   -1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3051   -1.3769   -1.6504 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