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
    4.1250    0.4071    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9513   -0.1899   -0.4694 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6767    0.1901   -0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6662    1.0684    0.8671 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769   -0.4428   -0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6571   -1.3646   -1.5226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8747   -0.1220   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1680    1.0747    0.4384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4530    1.3369    0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4788    0.4180    0.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2003   -0.7767    0.0544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9130   -1.0329   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7605   -0.4230    0.4463 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6922    0.9380   -0.7286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8805    1.0828    0.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6496   -1.6570   -1.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1613   -1.8493   -1.9824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4380    1.8365    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6899    2.2771    1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4778    0.6973    1.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9862   -1.4874   -0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6949   -1.9815   -0.8200 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