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
    4.6031    1.5913   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1803    1.6682   -0.3131 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4475    0.4943   -0.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612   -0.5897   -0.2490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9678    0.5472   -0.1614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2695   -0.5643   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1776   -0.5838   -0.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335   -1.8154    0.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2005   -1.9413    0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9651   -0.7863    0.1470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3252    0.4330    0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9502    0.5537    0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    0.7620    0.2738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9425    1.3369   -1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0878    2.5041   -0.0371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5048    1.5235   -0.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7920   -1.5152   -0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2615   -2.7424    0.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6684   -2.9130    0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0510   -0.8594    0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9046    1.3443    0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4878    1.5521   -0.0506 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