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
   -3.6952    0.6044   -1.2506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3646   -0.1366   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2890   -0.6261    0.5524 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9831   -0.3288    0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0287    0.1897   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3917    0.0488   -0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8839   -0.6474    0.8180 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2647   -0.7465    1.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429   -0.1411    0.1676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6582    0.5650   -0.9043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3026    0.6552   -1.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6037    1.0864   -1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7294   -0.9055    1.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3492    0.7704   -1.3913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2266   -1.1371    1.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6393   -1.3082    1.8800 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2281   -0.1995    0.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    1.0472   -1.5890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9366    1.2097   -1.9409 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