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
    3.3733    1.3974   -0.3871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0526    0.8862   -0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8464   -0.3545    0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020   -1.0010    0.6869 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -1.0029    0.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5734   -2.2091    1.1057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6812   -0.3784    0.1976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8445   -1.1462    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0582   -0.6056   -0.2784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1864    0.7457   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0832    1.5507   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8516    0.9702   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4015    2.2050   -1.1352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    1.8402    0.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0907    0.5935   -0.6800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5257   -2.6982    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2844   -2.7959    1.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7829   -2.2256    0.1856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9590   -1.2278   -0.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1434    1.2053   -0.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1562    2.6272   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0070    1.6237    0.1048 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