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
    4.4988   -0.5307   -0.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0966   -0.3599   -0.2932 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    0.3205   -1.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9952    0.8233   -2.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9581    0.4383   -1.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3218   -0.0771   -0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1204    0.0055    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7166   -0.5760    1.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0703   -0.5407    1.4101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9016    0.1034    0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3271    0.6818   -0.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9561    0.6477   -0.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290   -0.5867    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9508    0.3742   -0.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8089   -1.4663   -0.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4293    0.9704   -1.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8980   -0.6157    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0574   -1.0865    1.8685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5316   -0.9934    2.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9773    0.1551    0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9723    1.1915   -1.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5539    1.1213   -1.7217 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