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
    4.3393    0.2896    0.2518 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041    0.4317    0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5155    1.5789    0.4530 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1157   -0.7172   -0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9004   -1.0682   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3851   -0.4282   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5438   -1.2043   -0.3292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8125   -0.6780   -0.2699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0287    0.6461    0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9295    1.4282    0.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6313    0.8852    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8787    1.1448    0.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082   -1.6444   -0.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8068   -2.1989   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3970   -2.2531   -0.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6741   -1.3100   -0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150    1.0788    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0314    2.4840    0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1799    1.5351    0.3418 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