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
    4.1525    0.0736   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1562   -0.2917    0.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7788   -0.0273    0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5838    0.5562   -1.0841 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6958   -0.3852    0.7715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6137   -0.1614    0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2722   -1.1300   -0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5923   -0.9526   -0.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2849    0.1843   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6259    1.1576    0.4472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3041    0.9730    0.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9588    0.5717   -1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1637   -0.1210   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939   -0.7959    1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8004   -2.0502   -0.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1411   -1.7144   -1.1998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3331    0.2938   -0.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1374    2.0688    0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7785    1.7508    1.3724 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