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
    4.3939    0.2040   -0.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    0.1043    0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    0.1117    0.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8192   -0.8962   -0.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4850   -1.7908   -0.6613 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3828   -0.8955   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3137    0.0401    0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7581    0.1752    0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3818    1.2103    1.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7536    1.2905    1.0034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5338    0.3750    0.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8997   -0.6523   -0.3228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165   -0.7463   -0.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5313   -0.7743   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7086    0.8052   -1.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3775    0.7150   -0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2108    0.9276    1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1505   -0.8753    1.1219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1191   -1.6587   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2351    0.8220    0.9567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8304    1.9697    1.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2561    2.0969    1.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6325    0.4513    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4737   -1.4114   -0.8761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0965   -1.5979   -0.8412 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