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
   -4.2367    1.0267    0.5472 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2970    0.2608   -0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6422   -0.5094   -1.0206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8978    0.3779    0.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9681   -0.3276   -0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211   -0.2324    0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3814   -1.0071   -0.5366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7126   -0.9700   -0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1345   -0.1305    0.7877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    0.6371    1.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8692    0.5837    1.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2313    0.9987    0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6215    1.0466    1.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2907   -0.9964   -1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0346   -1.6612   -1.3274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4565   -1.5629   -0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751   -0.0517    1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5556    1.2939    2.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2276    1.2240    1.6808 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