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
   -3.8741    0.5114   -0.7802 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3526   -0.2556    0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1655   -0.8364    1.0060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348   -0.4167    0.4842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0573    0.1736   -0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3789    0.0882   -0.1495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2249    0.7612   -1.0302 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5946    0.7033   -0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1851   -0.0530    0.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -0.7142    0.9482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9558   -0.6579    0.8511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7603    1.0000   -0.7138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6005   -1.0262    1.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4255    0.7988   -1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    1.3553   -1.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2692    1.2118   -1.5962 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2515   -0.1329    0.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7833   -1.3032    1.7380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -1.2076    1.5723 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