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
    5.1348    0.6349   -0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1342   -0.4712    0.1146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8404    0.1049   -0.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6777   -0.6306    0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8005   -1.8284    0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -0.0342   -0.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7170   -0.7778    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407   -0.2377   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461   -1.0741    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4339   -0.6183   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7120    0.6714   -0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6379    1.5089   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3262    1.0499   -0.5282 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1686    0.2327   -0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0484    1.4536    0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8924    1.0595   -1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2653   -0.8470    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3319   -1.2876   -0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2459    0.9866   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6019   -1.8318    0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9310   -2.0906    0.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2558   -1.3061    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7241    1.0342   -0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8310    2.5486   -0.9953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5312    1.7503   -0.6952 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