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
    5.1742    0.3299   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918   -0.5712   -0.6156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8496   -0.0386   -0.1807 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6470   -0.6365   -0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7033   -1.6700   -1.2376 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3845   -0.0751   -0.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7785   -0.6103   -0.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0708   -0.1050    0.0471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2344    1.0140    0.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079    1.4516    1.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6446    0.7850    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4688   -0.3302    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2097   -0.7694   -0.3458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3652    0.0361    0.9792 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    0.3509   -0.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7611    1.3647   -0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2071   -1.6223   -0.2847 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1294   -0.5960   -1.7378 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3974    0.8123    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7715   -1.5150   -0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3666    1.5530    1.1465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6322    2.3324    1.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6478    1.0925    1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3327   -0.9090   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267   -1.6736   -0.9713 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