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
    3.4819    0.8507   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    0.5231   -0.3061 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7522   -0.7989   -0.2942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6748   -1.6567   -0.4746 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3723   -1.1967   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1289   -2.4941   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7336   -0.2712    0.1080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0423   -0.6375   -0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1350    0.1836    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9114    1.4443    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6177    1.8569    0.7974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465    1.0101    0.6001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0775   -0.0409   -0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9140    1.2635    0.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5927    1.6005   -1.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8503   -2.9006    0.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102   -3.2500   -0.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2178   -1.6491   -0.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1269   -0.1923   -0.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7617    2.0955    0.6565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5063    2.8719    1.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4183    1.3879    0.8513 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