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
    3.2651   -2.1324    0.8451 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900   -2.5855    0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2430   -3.7536   -0.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0002   -1.7620   -0.1737 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269   -0.5338    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030    0.3586    0.0682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1813    1.6466    0.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2139    2.5367    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3314    2.1809   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3624    0.9116   -0.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138    0.0110   -0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2133   -2.4923    0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1889   -2.1551   -0.7528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718   -0.1643    0.8752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7140    1.9255    1.1798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1283    3.5371    0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1594    2.8652   -0.4381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2339    0.6004   -1.3987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3858   -0.9946   -1.0937 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