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
    4.2699    1.0070    0.5191 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3475    0.1849   -0.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7137   -0.7172   -0.8493 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9269    0.3574    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0259   -0.4158   -0.3739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3998   -0.2627   -0.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9586    0.6804    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3376    0.7999    0.9094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1966   -0.0548    0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6554   -1.0193   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -1.1290   -0.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1820    1.2059    0.0805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5912    1.1434    0.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3728   -1.2003   -1.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293    1.3760    1.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7498    1.5547    1.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2484    0.0471    0.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3658   -1.6805   -1.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8843   -1.8769   -1.4115 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