Monomers

2-Propenoic acid, 3-phenyl-, methyl ester

Identifiers

IUPAC name
methyl 3-phenylprop-2-enoate
InchI
InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
InchI Key
CCRCUPLGCSFEDV-UHFFFAOYSA-N
SMILES
COC(=O)C=Cc1ccccc1
Canonical SMILES
COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
COC(=O)C=CC1=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
    3.4556    1.2893   -3.2412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2290    0.7396   -2.7427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398    0.8346   -1.3934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7780    1.4068   -0.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6853    0.2811   -0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    0.3653    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8161   -0.1667    1.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7821   -0.8042    0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9479   -1.3062    0.8655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1309   -1.1547    2.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1798   -0.5184    2.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0527   -0.0422    2.3693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468    1.7544   -2.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    1.9853   -4.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507    0.4177   -3.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0057   -0.1986   -1.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1307    0.8615    1.0719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6894   -0.9471   -0.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7164   -1.8105    0.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0351   -1.5396    2.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3437   -0.4071    4.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3116    0.4579    2.9887 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
  6  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
  5 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