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
    4.0554    0.7574   -0.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1340   -0.1373   -0.5367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7598    0.0968   -0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494    1.1402    0.4842 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7247   -0.7923   -0.3437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5799   -0.5547    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940    0.1064   -0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7069    0.3977   -0.5559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600    0.0400    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4251   -0.6175    1.5431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1074   -0.9124    1.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8180    1.6689    0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0662    0.5876   -0.5895 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4184   -1.0333   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    0.4103   -1.8192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3666    0.9181   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2921    0.2699    0.8832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8317   -0.9141    2.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586   -1.4315    1.9643 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