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
    4.4252   -0.0736   -1.9170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.3068   -1.6926 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3019   -0.2436   -0.6897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8428   -1.1162    0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8942    0.1712   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2302   -0.4093    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476   -0.1257    0.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8317    0.8112    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1534    1.0681    0.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7554    0.3956    1.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0603   -0.5401    2.2584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7672   -0.7888    1.9107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5439   -1.1656   -2.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8362    0.5013   -2.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    0.2285   -1.0098 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4731    0.9178   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7321   -1.1710    1.1269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4257    1.3646   -0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6793    1.8036   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7853    0.6441    1.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5403   -1.0575    3.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2030   -1.5214    2.4668 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