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
    3.9697   -0.2420    1.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8097   -0.7300    0.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5649   -0.0875    0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    0.9416    1.2300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4399   -0.6715   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5724   -1.7735   -0.8835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8633   -0.0349   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1892    0.7135    1.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4413    1.3331    1.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2972    1.1809   -0.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506    0.4244   -1.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7242   -0.1944   -1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7392    0.4805    1.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5522   -1.0610    1.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6088    0.2464    0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571   -2.2352   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2386   -2.2358   -1.4021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619    0.8558    1.8841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7601    1.9360    1.8681 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2822    1.6495   -0.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6296    0.3024   -1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4287   -0.7983   -2.0540 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