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
   -3.1876   -0.2352    1.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9431   -0.1485    1.0389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7405   -0.6176   -0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053   -1.1482   -0.7519 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5331   -0.5866   -1.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5314   -1.0784   -2.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6896   -0.0025   -0.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8859    0.0702    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0377    0.6441    1.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9951    1.1466    0.5599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7812    1.0645   -0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6600    0.5065   -1.3667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456   -1.0205    2.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4481    0.6935    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467   -0.5526    0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4593   -1.5029   -2.6189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3236   -1.1028   -2.8828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803   -0.3191    1.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1678    0.6895    2.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8909    1.5934    0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5356    1.4603   -1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4929    0.4465   -2.4276 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