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
    3.6805    1.4814    0.3127 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635    0.1776   -0.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2928   -0.6202   -0.2850 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9945   -0.2974   -0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9828    0.4973    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975    0.0672    0.0634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7821   -1.1771   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -1.5043   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1349   -0.5911   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7310    0.6849    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3896    1.0115    0.3564 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4451    1.9582   -0.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8324   -1.3256   -0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2423    1.5363    0.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0564   -1.9467   -0.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4281   -2.5205   -0.5777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1883   -0.8603   -0.0621 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4967    1.4212    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0860    2.0076    0.6195 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