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
    3.3672    1.3552    0.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0626    0.8094    0.1278 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8166   -0.4882   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8769   -1.1773   -0.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5146   -1.1133   -0.3846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4392   -2.3761   -0.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7195   -0.4082   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8235    0.9831   -0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787    1.6752    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0885    0.9460    0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0118   -0.4326    0.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8617   -1.1132    0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2577    2.3649    0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0516    0.6981    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139    1.5223   -0.7772 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3990   -2.9013   -0.9421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4652   -2.9468   -0.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0389    1.5627   -0.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0381    2.7487    0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9904    1.4901    0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8793   -1.0122    0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7813   -2.1865    0.3263 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