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
    3.8164   -0.7279   -0.4869 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3103    0.5113   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1295    1.4447    0.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8529    0.6819    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0786   -0.3411   -0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3833   -0.1986   -0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1897   -1.2966   -0.2631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5441   -1.1938   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1579   -0.0004    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3485    1.0909    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9769    0.9907    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7687   -0.9852   -0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5400    1.6671    0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4489   -1.3204   -0.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294   -2.2525   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1847   -2.0779   -0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2421    0.0833    0.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8048    2.0452    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3838    1.8792    0.4862 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