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
    3.2223    1.4977   -0.7188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9721    0.9340   -0.3900 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8211   -0.4284   -0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8748   -1.1126   -0.5537 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5762   -1.1307    0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5944   -2.4476    0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6835   -0.4022    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824   -1.0695    0.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0758   -0.4421    0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0858    0.8653    0.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8991    1.5469    0.9925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6939    0.9087    0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8662    1.4589    0.1908 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336    2.5656   -0.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6985    0.9932   -1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5096   -2.9667   -0.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2509   -3.0577    0.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8892   -2.1049   -0.2040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0286   -0.9803    0.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0578    1.3210    1.0315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9325    2.5782    1.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2106    1.4732    0.8683 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