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
    4.2347   -1.0064    0.6198 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3311   -0.3457   -0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6774    0.2949   -1.2035 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8993   -0.3959    0.1878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.2222   -0.5485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4095    0.1955   -0.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3358    0.8690   -1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6829    0.8795   -0.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1960    0.2144    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2842   -0.4455    1.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9286   -0.4669    0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2331   -0.8389    0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590   -0.9590    1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187    0.7647   -1.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290    1.3869   -1.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3665    1.4114   -1.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2574    0.2114    0.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6987   -0.9740    1.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2637   -1.0177    1.5551 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