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
    3.1938    1.7379    0.4813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9964    1.0476    0.2692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8720   -0.3037    0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9959   -0.9125    0.2408 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6649   -1.0760   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8114   -2.3791   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6508   -0.4906   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9617    0.8082    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2027    1.3888    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2282    0.6559   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9812   -0.6384   -0.8987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121   -1.1990   -0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0282    0.9840    0.3787 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437    2.2197    1.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3436    2.5196   -0.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0251   -3.0139   -0.3292 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7724   -2.8646   -0.0867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2078    1.4192    0.5649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567    2.4370    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1992    1.1179   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7842   -1.2324   -1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6127   -2.2256   -1.0769 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