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
    4.0623   -0.7916   -0.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282   -0.5153    0.5204 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6488   -0.3289   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -0.4237   -1.2749 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4980   -0.0453    0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704    0.0449    2.1251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8381    0.1696    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7959    0.8158    1.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0952    1.0142    0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669    0.5676   -0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5405   -0.0779   -1.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2524   -0.2613   -0.9516 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9478   -0.4335    0.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2349   -1.8730   -0.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0664   -0.2547   -1.2364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -0.1029    2.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0651    0.2368    2.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5523    1.1914    2.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7904    1.5222    1.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4863    0.7497   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8459   -0.4231   -2.4180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5900   -0.7811   -1.6172 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