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
    4.2509    1.2271   -0.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488    0.2189    0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7624   -0.8996    0.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209    0.4779   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387   -0.4551    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4024   -0.3077    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2501   -1.3701    0.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6092   -1.2209    0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2095   -0.0531   -0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3852    0.9972   -0.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9982    0.8519   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1317    1.2553    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5645    1.4362   -0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4162   -1.4316    0.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8007   -2.3047    0.7420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2394   -2.0635    0.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958    0.0173   -0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8341    1.9166   -0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4094    1.7077   -0.6109 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