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
    4.0617    0.8228    0.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9877    0.0768   -0.0569 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6592    0.3309    0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    1.2571    1.0737 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5619   -0.4429   -0.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9011   -1.4119   -1.1496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8482   -0.2122    0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8322   -0.6322   -0.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1789   -0.4736   -0.6882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5681    0.1366    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6116    0.5545    1.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2483    0.3953    1.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0086    1.9016    0.1995 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9938    0.4402    0.0041 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1857    0.6787    1.5718 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1427   -2.0084   -1.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9678   -1.5473   -1.3648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5746   -1.1086   -1.8397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8989   -0.8160   -1.4182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6312    0.2834    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9523    1.0253    2.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5569    0.7500    1.9457 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