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
    3.9230    1.3193    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9023    0.8943    1.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7885    0.2802    0.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7743   -0.8537   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9933   -1.3334   -0.2132 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7412   -1.5887   -0.7088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5103   -1.5698   -0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6284   -0.7507   -0.4975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4751    0.3595    0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052    1.1148    0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8735    0.7757    0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0448   -0.3530   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9322   -1.0825   -0.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3539    2.2835    0.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    1.3748   -0.7501 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7058    0.5122    0.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4022    0.2706    2.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5469    1.8094    1.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2197   -2.5200   -1.2561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669   -2.4639   -1.5215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5453    0.7288    0.6391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4466    2.0110    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7368    1.3720    0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0360   -0.6113   -0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0602   -1.9792   -1.5184 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