Monomers

Ethyl 3-phenylprop-2-enoate

Identifiers

IUPAC name
ethyl 3-phenylprop-2-enoate
InchI
InChI=1S/C11H12O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-9H,2H2,1H3
InchI Key
KBEBGUQPQBELIU-UHFFFAOYSA-N
SMILES
CCOC(=O)C=Cc1ccccc1
Canonical SMILES
CCOC(=O)C=CC1=CC=CC=C1
Isomeric SMILES
CCOC(=O)C=CC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H12O2
Heavy Atom Count
13
Molecular Weight
176.215
Exact Molecular Weight
176.0837
Valence Electrons
68
Radical Electrons
0
tPSA
26.3
MolLogP
2.2629
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

 25 25  0  0  0  0  0  0  0  0999 V2000
    4.0288    0.8764    0.2323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8944   -0.5753   -0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7897   -1.1997    0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4435   -0.7435    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4261    0.2364   -0.5606 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3524   -1.4221    0.8046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9102   -1.3005    0.8563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8278   -0.3767    0.2934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1884   -0.7868    0.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1428    0.0721   -0.1839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8423    1.3215   -0.6470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5451    1.7103   -0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5536    0.8627   -0.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6844    1.0446    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4172    1.5444   -0.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1062    1.1376    0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9327   -0.6681   -1.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7953   -1.0947    0.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6986   -2.3564    1.4483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3883   -2.1287    1.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4345   -1.7796    0.6451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1937   -0.2657   -0.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6648    1.9286   -0.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3052    2.7085   -1.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5727    1.2549   -0.1492 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  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
  1 16  1  0
  2 17  1  0
  2 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers