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
   -4.5710   -0.0444    0.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8181   -0.8367   -0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4335   -0.6082   -0.2957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8626    0.6588   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6521    1.6007   -0.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4176    0.8350   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3791   -0.1860   -0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8149   -0.0481   -0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4942    1.1300   -0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8916    1.1851   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6191    0.0567    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9470   -1.1350    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5738   -1.1789    0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8737    0.1602    1.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4455   -0.6292    1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8983    0.9244    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9726   -1.9179   -0.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2452   -0.6667   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0178    1.8175   -0.5162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790   -1.1802   -0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9316    2.0417   -0.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3844    2.1304   -0.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6929    0.1000    0.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4922   -2.0697    0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0661   -2.1391    0.2888 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