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
    5.1895   -1.0090    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1102    0.0106   -0.1161 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085   -0.5479    0.0340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7450    0.3374   -0.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9392    1.5588   -0.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3562   -0.1087    0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6474    0.7297   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0508    0.4252    0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5069   -0.8433    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8667   -1.1502    0.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8036   -0.1508    0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3661    1.1228    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0252    1.4097   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4748   -1.2262    1.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1229   -0.5660   -0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9923   -1.9293   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2123    0.7879    0.6464 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1422    0.4074   -1.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1341   -1.1656    0.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3800    1.7842   -0.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828   -1.6503    0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1391   -2.1697    0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8729   -0.3895    0.3591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1116    1.9010   -0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6739    2.4317   -0.2616 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