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
    4.5416    0.4688   -0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610    0.3422   -0.5508 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5474   -0.6878    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2542   -1.6101    0.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1046   -0.7820    0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2653    0.1235   -0.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1758    0.0848    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9578    1.1036   -0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3326    1.1330   -0.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9823    0.1131    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2307   -0.9130    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8436   -0.9179    0.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194   -0.1647   -1.6455 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7171    1.5398   -1.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1570    0.2457    0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795   -1.6162    0.8321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7245    0.9688   -0.6867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4229    1.9016   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9120    1.9646   -0.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0630    0.1532    0.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7480   -1.7138    1.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3028   -1.7371    1.0909 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