Monomers

cis-Cinnamic acid

Identifiers

IUPAC name
(Z)-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-SREVYHEPSA-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
cid=

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
    4.0290    1.6117    1.0045 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8811    1.0433    0.4898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9664    0.5507   -0.7004 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6197    0.9928    1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5570    0.4744    0.7205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -0.1042    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7323   -0.3999    0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302   -0.9582   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5231   -1.2628   -1.6026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2846   -0.9914   -2.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2874   -0.4406   -1.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8765    1.6652    0.4283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6818    1.4063    2.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2037    0.9320    1.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9790   -0.1943    1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072   -1.1831    0.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2744   -1.6795   -2.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1210   -1.2362   -3.1701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -0.2262   -1.7655 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