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
    5.0491   -0.2673   -0.6446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0891   -0.5116    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7854   -0.2472    0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6495   -0.3612    0.7678 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7798   -0.7260    1.9673 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3626   -0.0633    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7596   -0.1589    0.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0687    0.1312    0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1687   -0.0158    1.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4095    0.2551    0.6192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5697    0.6548   -0.6896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4917    0.8016   -1.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2369    0.5300   -1.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1413    0.8249   -0.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0517   -0.7242   -0.4391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6120   -0.7802   -1.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1240   -1.6063    0.7105 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368    0.0549    1.4003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3324    0.2412   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6802   -0.4718    1.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0323   -0.3297    2.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2553    0.1399    1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5728    0.8619   -1.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6499    1.1160   -2.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4183    0.6518   -1.6926 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