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
    4.5929   -0.2773   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7066   -1.1367    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3488   -0.8627    0.2036 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8569    0.3983    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6866    1.2557    0.8890 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4295    0.7503    0.3681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4160   -0.1770   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8252    0.0188   -0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4176    1.2320    0.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7846    1.4502   -0.1157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5717    0.4362   -0.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9981   -0.8083   -0.8222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6436   -1.0006   -0.6570 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757    0.6742    0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1735   -0.0641   -1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5463   -0.8223   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9753   -0.8973    1.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9500   -2.1965    0.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1126    1.7272    0.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334   -1.1932   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258    2.0729    0.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2240    2.4087    0.0971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6333    0.5864   -0.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6380   -1.6004   -1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2434   -1.9744   -0.8808 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