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
    3.4954    0.9862    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429    0.5876    0.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7468   -0.7292    0.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7302   -1.5520    0.3320 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3817   -1.2197    0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1979   -2.5101    0.2596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356   -0.3205   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -0.7896   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0367    0.0274   -0.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9820    1.3587   -0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7925    1.8332    0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6981    1.0144    0.3324 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0617    0.6695   -0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5039    2.0997    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0080    0.6458    1.0570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0221   -3.2132    0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7768   -2.9479    0.2503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9798   -1.8484   -0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9281   -0.4434   -1.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8536    1.9910   -0.4652 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658    2.8984    0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932    1.4619    0.7495 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