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
    2.3712   -1.6801    1.2647 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7047   -1.3557   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8949   -1.8190   -0.3340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0278   -0.6333   -1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9316   -0.0213   -1.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2528    0.2738   -0.4765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -0.0959    0.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6881    0.2237    1.5038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    0.9424    0.8927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    1.3295   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3007    1.0153   -1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0098   -1.6848    2.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6978   -0.5986   -1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8520    0.4266   -2.3003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2369   -0.6587    1.3374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979   -0.1125    2.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5942    1.1930    1.4179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2563    1.9065   -0.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1987    1.3493   -2.0779 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