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
    3.9064   -0.0377    0.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1737    1.0763    0.4654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7951    2.1620    0.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7337    1.0220    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0600   -0.1030    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3655   -0.2627    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1237    0.8249   -0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4902    0.6214   -0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0972   -0.6055   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2902   -1.6754    0.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9460   -1.5200    0.2979 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9120    0.0360    0.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2071    1.9126   -0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6253   -1.0037    0.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7461    1.8267   -0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0909    1.4883   -0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1649   -0.7356   -0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669   -2.6472    0.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3317   -2.3794    0.5908 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