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
    3.8434    0.8944    0.3446 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540   -0.3858    0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878   -1.3173   -0.0249 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9273   -0.6314    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0304    0.3178    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4012    0.1482    0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9904   -1.0697   -0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867   -1.1828   -0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1586   -0.0544   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6022    1.1849    0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2292    1.2489    0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8258    1.1144    0.2148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5864   -1.6341   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4370    1.3269    0.3303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3834   -1.9305   -0.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8055   -2.1712   -0.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2381   -0.1599   -0.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2309    2.0760    0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658    2.2254    0.4043 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