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
    4.3237   -0.4161   -0.0440 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8860   -0.4447    0.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -1.3999    0.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897    0.5342   -0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8773    0.8547   -0.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3804    0.3651   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6099   -0.7100    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8813   -1.1218    0.9770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741   -0.4239    0.5525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8180    0.6697   -0.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    1.0306   -0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8731   -1.1246    0.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    1.2635   -1.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645    1.7865   -1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2154   -1.2999    0.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9729   -1.9815    1.6164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9929   -0.7126    0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6914    1.2155   -0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4729    1.9152   -1.2883 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