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
    4.0347    0.4942    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725    0.8488   -0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7320    0.3777    0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4822   -0.3644    1.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6424    0.7055   -0.8027 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6193    0.2049   -0.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0694   -1.0018   -0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3206   -1.5035   -0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -0.8168    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7515    0.3890    0.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4952    0.8884    0.3243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8021   -0.1423    1.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0648    0.8097    0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3501    1.4898   -1.0438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3649   -1.5326   -1.6446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6153   -2.4540   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1813   -1.1961    0.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4233    0.9614    1.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1509    1.8422    0.7236 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