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
    3.6049    2.5189    0.1612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6307    1.8670    0.8983 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052    1.9579    2.1539 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    1.0961    0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6338    0.4851    0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4214   -0.2667    0.2804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3620   -0.8929    1.0926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3779   -1.6145    0.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5135   -1.7513   -0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5675   -1.1204   -1.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5178   -0.3763   -1.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140    2.7796    0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5658    1.0757   -0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6479    0.5293    2.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2571   -0.7863    2.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1036   -2.0963    1.1947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3132   -2.3182   -1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6194   -1.1895   -2.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2037    0.1029   -1.7445 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