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
   -3.8222    0.0237   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0612    1.0051   -0.5593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6103    0.9279   -0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8961    1.8722   -0.9023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9616   -0.1732    0.0586 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4233   -0.1629    0.0953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9924    0.3794    1.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3669    0.4386    1.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640   -0.0501    0.3640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -0.5865   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2062   -0.6446   -0.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3707   -0.8658    0.3123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8985    0.0360   -0.1582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5067    1.8860   -0.9875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3724    0.7614    2.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8564    0.8473    2.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2481   -0.0012    0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1906   -0.9634   -1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7305   -1.0560   -1.7999 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