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
    3.8781    0.8138    0.0801 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.4019   -0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1586   -1.2945   -0.6767 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9010   -0.6249   -0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0435    0.3169   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3932    0.1499   -0.1383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1945    1.2315    0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5630    1.1200    0.2193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2025   -0.0278   -0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4054   -1.0790   -0.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0193   -0.9989   -0.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8895    0.9368    0.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -1.5908   -0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4525    1.2691    0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    2.1478    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2044    1.9624    0.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2761   -0.0751   -0.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8274   -2.0170   -0.9039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118   -1.8385   -0.8509 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