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
    4.5858    0.5552    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740    0.4649   -0.0026 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    0.1028    1.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9539   -0.1480    2.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9366    0.0003    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2663    0.2466   -0.0970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1588    0.1786   -0.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    0.4657   -1.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124    0.3974   -1.6787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9279    0.0397   -0.6260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3711   -0.2473    0.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0036   -0.1727    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0725   -0.3948   -0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9157    0.7313    1.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9572    1.3376   -0.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4035   -0.2881    1.8905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8781    0.5381   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1146    0.7463   -2.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5253    0.6328   -2.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9950    0.0078   -0.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9996   -0.5262    1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5679   -0.4079    1.7241 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