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
    5.2092   -0.8099   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0743    0.0749    0.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8213   -0.4318   -0.0627 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6928    0.3279    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8619    1.4261    0.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3526   -0.0960   -0.0705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6820    0.6435    0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0522    0.3081   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0538    1.1601    0.3659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4014    0.9315    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7598   -0.2007   -0.5379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7806   -1.0781   -0.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4301   -0.8383   -0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4949   -0.6538   -1.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9964   -1.8843    0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0790   -0.5767    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2402    1.0818   -0.1278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1236    0.2102    1.4178 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -1.0099   -0.5977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5007    1.5869    0.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8064    2.0681    0.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1317    1.6423    0.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8200   -0.3745   -0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0591   -1.9783   -1.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6752   -1.5293   -1.0407 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