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
    3.8768    0.4646   -0.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2369   -0.7577   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9428   -1.7592   -0.5860 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7586   -0.8343   -0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694    0.2551   -0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3682    0.2339   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0492    1.4252    0.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218    1.4644    0.2498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1050    0.2703    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524   -0.9067   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634   -0.9146   -0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8202    0.5056    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3627   -1.8214   -0.4944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978    1.1855    0.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4581    2.3127    0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9621    2.3737    0.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2056    0.2512    0.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9919   -1.8552   -0.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5876   -1.8930   -0.4297 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