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
    4.2215    0.8068   -0.4647 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926    0.6936   -0.4683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2307    1.5537   -1.1340 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641   -0.3516    0.2564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050   -0.7757    0.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -0.4352    0.2261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3826   -1.3550    0.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6881   -1.0329    0.3200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0454    0.1870   -0.2203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0468    1.0756   -0.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6986    0.7789   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6440    1.6057   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9805   -1.0382    0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0657   -1.7136    1.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0721   -2.2925    0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4787   -1.7524    0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0802    0.4439   -0.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2692    2.0499   -0.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067    1.5519   -0.5581 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