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
    3.9571    1.0946   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0028    0.0832    0.0578 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6354    0.4296    0.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531    1.6417   -0.0635 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6104   -0.5976    0.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600   -1.8436    0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8146   -0.2931    0.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7052   -1.1877    0.8096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0572   -0.9668    0.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5927    0.1634    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7593    1.0766   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3773    0.8330   -0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    1.0683   -1.1176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8439    0.9534    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5652    2.1046    0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3762   -2.6593    0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1098   -2.0770    0.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3163   -2.0867    1.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7518   -1.6798    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6599    0.3916    0.2838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1033    1.9889   -0.7575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324    1.5628   -0.8049 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