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
    3.7641   -0.2126    0.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1381   -0.4415   -0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7002   -0.3929   -0.9244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192   -0.5979   -1.9584 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882   -0.1009    0.2262 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4007   -0.0306    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0526    1.1612    0.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4317    1.2856    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2141    0.1731    0.3466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5763   -1.0265    0.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1987   -1.1208    0.5505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8592   -0.2401    0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572    0.0213    1.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6875   -0.6673   -1.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4440    2.0377   -0.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9421    2.2264   -0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2927    0.2502    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1838   -1.9082    0.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -2.0628    0.7400 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