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
    4.3186    0.8148    0.0851 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3137   -0.1225    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6143   -1.3357    0.0907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9035    0.2624    0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9413   -0.6413    0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4488   -0.2697   -0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3957   -1.2920   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7349   -0.9839   -0.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711    0.3189   -0.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195    1.3093   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8541    1.0409   -0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2615    0.5786    0.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7273    1.3286    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2168   -1.6876    0.0338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0669   -2.3431   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869   -1.7888   -0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2429    0.5603   -0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264    2.3650   -0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1499    1.8860   -0.0400 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