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
    3.9989    0.4421   -0.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1999   -0.0731    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7614    0.0521   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2856    0.6346   -1.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8419   -0.4652    0.7393 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5362   -0.3190    0.5072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2548   -1.2614   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6089   -1.0894   -0.4090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729    0.0195    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671    0.9752    0.7828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2187    0.7788    0.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0690    0.3729   -0.7875 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218    0.9475   -1.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268   -0.5746    0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7284   -2.1492   -0.5848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1679   -1.8289   -0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3486    0.1593   -0.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0634    1.8624    1.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6383    1.5163    1.5347 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