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
    4.4674    0.3848   -0.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6691   -0.3202   -1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036   -0.2078   -0.8614 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8554   -0.7330    0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6709   -1.2909    1.0929 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4480   -0.6316    0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3689   -0.0356   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7706    0.0894    0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326   -0.3912    1.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6986   -0.2510    1.5565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4512    0.3887    0.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9462    0.8966   -0.5700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5932    0.7366   -0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    0.7189    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2740   -0.2866    0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9244    1.3106   -0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9942   -1.3802   -1.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8263    0.1992   -2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1300   -1.0630    1.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238    0.3685   -1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7681   -0.8963    2.0558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1366   -0.6401    2.4805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5239    0.5157    0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6036    1.3913   -1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854    1.1270   -1.7011 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