Monomers

Methyl 2-phenylacrylate

Identifiers

IUPAC name
methyl 2-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-7H,1H2,2H3
InchI Key
GQTXKEVAUZYHGE-UHFFFAOYSA-N
SMILES
COC(=O)C(=C)c1ccccc1
Canonical SMILES
COC(=O)C(=C)C1=CC=CC=C1
Isomeric SMILES
COC(=O)C(=C)C1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H10O2
Heavy Atom Count
12
Molecular Weight
162.188
Exact Molecular Weight
162.0681
Valence Electrons
62
Radical Electrons
0
tPSA
26.3
MolLogP
1.8728
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

 22 22  0  0  0  0  0  0  0  0999 V2000
    3.4559    0.7051    0.8915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193    0.3955    0.5423 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7581   -0.7120   -0.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347   -1.4684   -0.5274 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -1.0835   -0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2247   -2.1809   -1.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7335   -0.2681   -0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7180    0.5927    0.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457    1.3621    1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9796    1.3117    0.3250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9713    0.4500   -0.7488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8577   -0.3330   -1.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9662   -0.1803    1.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0449    1.0928    0.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874    1.4640    1.7124 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1113   -2.7610   -1.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7604   -2.4749   -1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1331    0.6830    1.5317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7974    2.0263    1.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8464    1.9243    0.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8704    0.4235   -1.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9611   -0.9691   -1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  6 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers