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
    4.1696   -0.2735    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0995   -0.0605    0.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7875   -0.1012    0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6515   -0.3314   -1.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6815    0.1202    0.8800 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6244    0.1104    0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2273    1.2589   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5238    1.2703   -0.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845    0.1205   -0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6868   -1.0300   -0.0955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3904   -1.0376    0.3785 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1771   -0.2609    0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0902   -0.4776   -1.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2326    0.1371    1.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6451    2.1673   -0.0514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0055    2.1750   -0.9130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3087    0.1099   -0.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2772   -1.9463   -0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9158   -1.9503    0.7512 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