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
    3.9672    0.2877    0.1422 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2700   -0.8921    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8929   -1.9720   -0.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8129   -0.9171   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0795    0.1680    0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3585    0.2407    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0431    1.4520    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4090    1.5594    0.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1497    0.4081   -0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5277   -0.8111   -0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1277   -0.8847   -0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9925    0.3326    0.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2906   -1.8726   -0.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6250    1.1213    0.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4260    2.3508    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8778    2.5502    0.1018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2356    0.4725   -0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0909   -1.7269   -0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6846   -1.8665   -0.1766 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