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
    4.7241    0.5100   -0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1726   -0.1635    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8610   -0.6083    0.7795 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7684    0.1839    0.4954 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9684    1.4136    0.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4178   -0.3238    0.3577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630    0.5090    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9632    0.1141   -0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9471    1.0510   -0.3644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2713    0.7082   -0.5217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6921   -0.5954   -0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7282   -1.5375   -0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3804   -1.1951    0.0467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7863   -0.1960   -1.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7555    0.8411   -0.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1285    1.4134   -0.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3036    0.5617    1.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8130   -1.0326    1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2394   -1.3686    0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3638    1.5907   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6114    2.0944   -0.4620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0089    1.4609   -0.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7338   -0.8846   -0.5209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0254   -2.5742   -0.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6499   -1.9722    0.2722 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