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
   -2.3644    0.5691    2.0637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7567   -0.3792    1.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9936   -0.7659    1.4156 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1307   -1.0103    0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0155   -1.0040   -0.5471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385   -0.3079   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5660    0.6433    0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8177    1.2707    0.5253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861    0.9562   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4515    0.0023   -1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2358   -0.6231   -1.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9157    1.4167    2.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8633   -1.7833   -0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063   -1.7490   -1.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1580    0.9258    1.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055    2.0142    1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7642    1.4304   -0.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2440   -0.2455   -2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0948   -1.3605   -2.1583 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