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
    4.8922    0.0352   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5496    0.4692   -0.2079 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4727   -0.4025   -0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7179   -1.6295   -0.1482 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1173    0.1388   -0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0776   -0.6561   -0.0478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3081   -0.2157    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6846    1.1092    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0027    1.4950    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0229    0.5702    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6640   -0.7612    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3484   -1.1503    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1761   -0.3887   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1349   -0.7027    0.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5253    0.9529   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464    1.2057   -0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2561   -1.7177   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9341    1.8855   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2734    2.5543    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0571    0.8835    0.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4806   -1.4754    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0902   -2.1996    0.0619 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