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
   -3.8060   -0.5825   -1.2369 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3538   -0.2488    0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2306   -0.1231    0.9255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9426   -0.0542    0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0378   -0.1894   -0.6293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3935   -0.0111   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2291   -0.1838   -1.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   -0.0362   -1.4079 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1797    0.2920   -0.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3653    0.4687    0.8777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756    0.3183    0.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7556   -0.3508   -1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6176    0.2039    1.3083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4145   -0.4551   -1.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8175   -0.4487   -2.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2009   -0.1912   -2.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2376    0.4036   -0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115    0.7282    1.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473    0.4602    1.6416 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