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
    2.8518    1.2068    0.7301 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9640    0.1161   -0.0837 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440   -0.1402   -0.3284 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0426   -0.7552   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8098   -0.9976   -0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3850   -0.3879   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722    0.7146    0.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5606    1.2716    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7585    0.7027    0.5956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7892   -0.4050   -0.2246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6358   -0.9512   -0.6789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4406    1.2682    1.5735 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503   -1.5702   -1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5755   -1.9243   -1.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5311    1.1942    0.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5014    2.1329    1.6026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6688    1.1691    0.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7512   -0.8262   -0.4959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6870   -1.8187   -1.3201 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