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
    4.2915    1.1263    0.4288 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2993    0.1628    0.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890   -1.0457    0.4075 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8907    0.4690    0.1450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0105   -0.5088    0.0593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4141   -0.2897   -0.1243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2727   -1.3650   -0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6319   -1.2438   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1776    0.0212   -0.4775 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3407    1.1055   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9628    0.9699   -0.2243 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1048    0.9295    1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438    1.5174    0.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728   -1.5251    0.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8781   -2.3691   -0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3141   -2.0795   -0.4422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2544    0.1663   -0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7239    2.1201   -0.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3321    1.8387   -0.1671 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