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

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
    4.0018    0.0520    1.1290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    0.4008    0.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    0.0844    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491   -0.5279    1.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307    0.4447   -0.7250 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5226    0.1408   -0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290    1.0816   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6823    0.8540    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794   -0.2977   -0.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568   -1.2319   -0.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0881   -1.0094   -1.0922 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0552    0.2775    1.0731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800   -0.4832    2.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5567    0.9264   -0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416    2.0136    0.3789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2971    1.6153    0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3318   -0.4347   -0.2101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8862   -2.1605   -1.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4466   -1.7458   -1.5752 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