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
    2.8535    1.3586    0.1523 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0221    0.0050    0.1518 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3059   -0.2953    0.1861 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0831   -1.0666    0.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8241   -1.2554    0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -0.4798    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3870    0.8824    0.0611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6168    1.5606    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8260    0.9335   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8062   -0.4415   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6250   -1.1467    0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5389    2.0512   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6489   -2.1004    0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6006   -2.4014    0.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974    1.4811    0.0878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5753    2.6462    0.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7732    1.4859   -0.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466   -0.9888   -0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413   -2.2285    0.0149 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