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
    4.1641    0.3159    1.3852 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2669   -0.2640    0.5036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6592   -1.1003   -0.3504 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557    0.1030    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9905   -0.4394   -0.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4273   -0.1425   -0.2732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132   -0.8035   -1.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5699   -0.5757   -1.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1236    0.3224   -0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    0.9834    0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9865    0.7489    0.6022 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1523    0.2896    1.1300 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5032    0.8174    1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4203   -1.1650   -0.9785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7644   -1.5046   -1.9062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1825   -1.1016   -2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1836    0.5404   -0.4267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7760    1.6927    1.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4207    1.2828    1.3498 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