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
    4.8040   -0.5316    0.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925   -0.6374    0.9744 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5159   -0.0502    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9914    0.5786   -0.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0568   -0.1756    0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1965    0.3622   -0.5483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2372    0.2677   -0.3981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8349   -0.4072    0.6400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2200   -0.4961    0.7814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0391    0.1092   -0.1446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4648    0.7857   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0962    0.8658   -1.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2367    0.2805    1.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2144   -1.5316    1.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0545   -0.3637   -0.2600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6982   -0.7263    1.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5904    0.9117   -1.3931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2681   -0.9106    1.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6539   -1.0409    1.6191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1359    0.0575   -0.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1415    1.2525   -1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6596    1.3996   -2.1338 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