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
   -4.3439    0.5767    0.3830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3341   -0.0879   -0.2623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5331   -0.9317   -1.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9556    0.1858    0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489   -0.4211   -0.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4368   -0.1783   -0.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265   -0.8836   -0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7498   -0.6869   -0.4971 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1772    0.1923    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2011    0.8851    1.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8577    0.7019    0.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2824    0.5309    0.0106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7804    0.9053    0.9074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1803   -1.1320   -1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1283   -1.5963   -1.5814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5232   -1.2439   -1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2428    0.3261    0.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5141    1.5834    1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    1.2741    1.4292 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