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
    4.4618    0.2756   -0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0666    0.1781   -0.3665 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   -0.4469    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2261   -0.9590    1.6226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0318   -0.5000    0.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3258    0.0467   -0.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1308    0.0468   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8250    0.6529   -1.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1950    0.6747   -1.2079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9405    0.1079   -0.2128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2800   -0.4894    0.8295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887   -0.5211    0.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8734    0.6410    0.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8476   -0.7100   -0.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6455    1.0730   -1.2845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5756   -0.9926    1.6931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8315    0.5224   -0.9592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2300    1.1015   -1.9634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6845    1.1583   -2.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0187    0.1131   -0.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8094   -0.9653    1.6646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3879   -1.0075    1.7277 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