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
    4.6455   -1.0862    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1412    0.0149    1.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7393    0.0021    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301    0.1115    0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2790    0.2330   -0.9797 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3914    0.0939    0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    0.2023   -0.5812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8899    0.1954   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7158    0.3148   -1.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0843    0.3085   -1.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7025    0.1845   -0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9173    0.0652    0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5301    0.0718    0.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589   -0.8201   -0.9042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9981   -2.0074    0.2405 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6589   -1.3877    0.5019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6594   -0.0532    2.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3721    0.9887    0.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433   -0.0100    1.4379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0395    0.3066   -1.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2360    0.4141   -2.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7101    0.4034   -2.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7882    0.1808   -0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4160   -0.0320    1.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9452   -0.0240    1.6484 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