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
    4.3275    0.4719    0.8776 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3354   -0.1431    0.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6882   -1.0205   -0.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222    0.1577    0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0044   -0.4632   -0.3486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4114   -0.1931   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404    0.7244    0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3184    0.9468    0.7904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2066    0.2437    0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6903   -0.6759   -0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324   -0.8954   -0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2708    0.6504    0.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6806    0.9078    1.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142   -1.2011   -1.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798    1.2987    1.3190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7319    1.6673    1.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2793    0.3735    0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4008   -1.2363   -1.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9520   -1.6136   -1.6756 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