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
    4.3791    0.7476   -0.4443 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3355   -0.1501   -0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5933   -1.3403    0.1191 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9467    0.3055   -0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969   -0.5523    0.0973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4217   -0.2162    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3619   -1.2003    0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.9607    0.4423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2075    0.2962    0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3002    1.2848   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9249    1.0325   -0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1876    0.3134   -0.9176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6934    1.3332   -0.4107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046   -1.5755    0.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502   -2.1931    0.6278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4086   -1.7681    0.6858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2769    0.5207    0.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6396    2.2918   -0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2283    1.8309   -0.4059 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