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
    4.3764    0.8192    0.1016 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3491   -0.0522    0.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6073   -1.2215    0.7171 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9373    0.3199    0.1701 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9607   -0.5222    0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4605   -0.2535    0.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9270    0.9655   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3017    1.2256   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1587    0.2123    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7605   -1.0420    0.4282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4054   -1.2464    0.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3547    0.6416    0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6941    1.3169   -0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2823   -1.5171    0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    1.7399   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5877    2.2185   -0.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2311    0.4261   -0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4728   -1.8267    0.6497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0516   -2.2037    0.8568 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