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
    4.3285    0.3351   -0.5493 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027    0.0457    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5359   -0.2683    1.4829 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9094    0.1163   -0.2093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9037   -0.1553    0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -0.1043    0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824   -0.4063    1.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8010   -0.3695    0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983   -0.0248   -0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1183    0.2785   -1.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7766    0.2373   -1.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    0.5833   -0.2357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7420    0.3913   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1090   -0.4352    1.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2056   -0.6718    2.0572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5939   -0.6035    1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1412    0.0135   -0.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3726    0.5510   -2.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0524    0.4872   -1.9138 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