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
   -4.0323   -0.1124   -0.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1499    0.4829   -0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7379    0.0821   -0.1572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201   -0.8318   -0.9107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7895    0.6861    0.6515 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5388    0.2886    0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0871   -0.6830    1.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -1.0042    1.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521   -0.3448    0.3650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7027    0.6361   -0.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    0.9567   -0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6756   -0.9118   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0765    0.1594   -0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5114    1.2667    0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4437   -1.1982    2.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8664   -1.7753    1.8863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2851   -0.5904    0.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3437    1.1566   -1.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9822    1.7368   -0.9423 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