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
    4.4169   -0.3520    0.4546 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3362    0.1189   -0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5403    0.8139   -1.2588 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9428   -0.1444    0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9401    0.3306   -0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4482    0.1216   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4565    0.6658   -0.9969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7964    0.4894   -0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1724   -0.2481    0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2196   -0.7974    1.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8581   -0.6093    0.8802 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3543    0.0233    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640   -0.7379    1.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740    0.9261   -1.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1326    1.2516   -1.8646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5088    0.9464   -1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2417   -0.3589    0.5400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5056   -1.3756    2.0258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1286   -1.0641    1.5453 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