Monomers

Ethenyl 3-phenyl-2-propenoate

Identifiers

IUPAC name
ethenyl 3-phenylprop-2-enoate
InchI
InChI=1S/C11H10O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h2-9H,1H2
InchI Key
WGXGKXTZIQFQFO-UHFFFAOYSA-N
SMILES
C=COC(=O)C=Cc1ccccc1
Canonical SMILES
C=COC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
C=COC(=O)C=CC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H10O2
Heavy Atom Count
13
Molecular Weight
174.199
Exact Molecular Weight
174.0681
Valence Electrons
66
Radical Electrons
0
tPSA
26.3
MolLogP
2.3865
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

 23 23  0  0  0  0  0  0  0  0999 V2000
    4.8855   -0.3567   -0.2749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1432    0.1158    0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7647    0.0318    0.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0932    1.0809   -0.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7613    2.0672   -0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6241    1.0259   -0.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0073   -0.0414    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4319   -0.1716    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9766   -1.3510    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3370   -1.5204    0.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1328   -0.5589   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5806    0.5974   -0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1962    0.8067   -0.4359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4490   -0.7928   -1.1589 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750   -0.3218   -0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5754    0.5550    1.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    1.8297   -0.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106   -0.8439    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3357   -2.1245    1.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7770   -2.4378    0.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2126   -0.7076   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2033    1.3797   -0.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7984    1.7380   -0.8363 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  1 14  1  0
  1 15  1  0
  2 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers