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
    3.9788    0.7182   -0.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8955   -0.1784   -0.4196 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5934    0.3103   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5180    1.5495   -0.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292   -0.6513   -0.1833 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7890   -1.9268   -0.3355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339   -0.2238    0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2947    1.0253   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6056    1.4288    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4511    0.5175    0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0165   -0.7531    0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330   -1.1249    0.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7296    1.7086   -0.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7683    0.2929    0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4331    0.7649   -1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8472   -2.2242   -0.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0110   -2.6650   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6131    1.7394   -0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8676    2.4410   -0.2499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4749    0.8338    0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7553   -1.4331    1.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474   -2.1493    0.8747 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