Monomers

Cinnamic acid

Identifiers

IUPAC name
(E)-3-phenylprop-2-enoic acid
InchI
InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InchI Key
WBYWAXJHAXSJNI-VOTSOKGWSA-N
SMILES
OC(=O)/C=C/c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)O
Isomeric SMILES
C1=CC=C(C=C1)/C=C/C(=O)O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H8O2
Heavy Atom Count
11
Molecular Weight
148.161
Exact Molecular Weight
148.0524
Valence Electrons
56
Radical Electrons
0
tPSA
37.3
MolLogP
1.7844
H Bond Acceptors
1
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.3951   -1.6415    1.1981 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7995   -1.1279   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0489   -1.4477   -0.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1346   -0.3300   -0.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9959    0.2149   -1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2543    0.3122   -0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3285    1.0379   -0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5483    1.1891   -0.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7571    0.5888    0.8071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7576   -0.1383    1.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5157   -0.2624    0.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881   -1.6346    2.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8405   -0.0905   -1.8913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9403    0.8033   -2.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1759    1.5151   -1.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3582    1.7598   -0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7181    0.7099    1.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9245   -0.6148    2.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1955   -0.8433    1.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers