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
    4.6072    0.3555   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2162    0.2822    0.4278 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602    0.5531    0.6388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8266   -0.1846    0.0891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1773   -1.1597   -0.6467 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4231    0.1234    0.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5410   -0.5868   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702   -0.3231    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9012   -1.1457   -0.6091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2316   -0.8984   -0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6722    0.1472    0.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7490    0.9471    0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3925    0.7137    0.7875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1028    1.2809   -1.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7032    0.4822   -1.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246   -0.5248   -1.6109 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5320   -0.7100    0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7904    1.1086    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2150    0.9651    0.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2462   -1.4339   -0.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5711   -1.9636   -1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0052   -1.5306   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7449    0.3211    0.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0536    1.7871    1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7000    1.3939    1.2957 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