Monomers

Cinnamic acid

Identifiers

IUPAC name
(E)-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-VOTSOKGWSA-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

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
    3.9621   -0.0239    0.2671 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1453    1.0405    0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6614    2.1077    1.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6731    0.9616    0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929   -0.1362    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -0.2419    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    0.7858    0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5399    0.6570    0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0480   -0.5377   -0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2341   -1.5927   -0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8759   -1.4451   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8654   -0.1715    0.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033    1.8101    0.8108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7062   -1.0068   -0.1728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8185    1.7448    0.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1817    1.4870    0.5270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1348   -0.6117   -0.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6583   -2.5434   -0.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2175   -2.2835   -0.7049 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