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
    4.6843    0.7280   -0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1991   -0.6470   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8739   -0.8874   -0.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7860   -0.1646   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9656    0.7951   -1.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175   -0.4383    0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5851    0.2974   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9694    0.1032   -0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9212    0.9743   -0.5493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2343    0.8300   -0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6238   -0.1701    0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7129   -1.0311    1.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3806   -0.8953    0.8480 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.7588   -0.1426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    1.4515   -0.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    0.9922    1.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2631   -0.7712   -1.4892 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8642   -1.3857    0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2281   -1.2584    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3584    1.1204   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6273    1.7707   -1.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9821    1.4948   -0.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6742   -0.2520    0.8655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0365   -1.8313    1.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6598   -1.5840    1.2790 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