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
   -4.0721    0.5540    0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9619   -0.1470   -0.2031 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6669    0.2266    0.1155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5314    1.1740    0.9041 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5238   -0.4858   -0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7635   -1.4970   -1.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8409   -0.1405   -0.1541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2226    1.1037    0.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5582    1.3803    0.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4635    0.3787    0.4623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1180   -0.8737    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8036   -1.1444   -0.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9844   -0.0439    0.3805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7590    0.8144    1.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2839    1.4967   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899   -1.7824   -1.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058   -2.0755   -1.7868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5200    1.9066    0.4274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8565    2.3560    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5152    0.5860    0.7093 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8546   -1.6484   -0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5894   -2.1382   -0.6499 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