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
    2.1308    3.0855   -0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4158    2.4772   -1.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6293    1.2921   -1.3154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0495    0.7213   -2.2054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6095    0.7725   -0.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1010   -0.3442    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3980   -0.1938    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1610   -1.2782    1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6338   -2.5519    1.1837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3468   -2.7162    0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4167   -1.6204    0.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1873    2.7620    0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6942    3.9579   -0.9896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4055    2.8562   -2.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8231    0.7966    0.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1842   -1.1477    1.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2648   -3.3649    1.5170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0529   -3.7143    0.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203   -1.7898   -0.0551 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