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
   -4.5812   -0.2937    0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0573   -1.2709   -0.5039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6668   -1.4439   -0.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8101   -0.3786   -0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3045    0.7623   -0.6539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3723   -0.4934   -0.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4088    0.5462   -0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8506    0.5348   -0.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5420   -0.6171    0.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9308   -0.6284    0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6649    0.5321    0.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9758    1.6884   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6071    1.7005   -0.1972 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5248   -0.6752    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8686   -0.1171    1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7888    0.6665   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5478   -2.2696   -0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2620   -0.9716   -1.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0171   -1.4717    0.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0438    1.5235   -0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122   -1.5432    0.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4322   -1.5582    0.6372 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7373    0.5555    0.4150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5611    2.5996   -0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0882    2.6231   -0.4337 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