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
    4.1085   -0.3470    0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954   -0.2608   -0.3066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7792   -0.1666    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4754   -0.1709    1.2911 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7548   -0.0723   -0.8521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5868    0.0174   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4078   -1.0765   -0.3455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373   -0.9615   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2825    0.2902    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4846    1.4091    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1437    1.2644   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488   -0.4164    0.3442 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8887   -0.3540    1.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002   -0.2605   -1.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880   -2.0508   -0.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3764   -1.8461    0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3403    0.4199    0.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9254    2.4045    0.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5784    2.1778   -0.4252 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