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
    3.7254    0.3564   -1.2566 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3211   -0.5834   -0.3244 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1380   -1.3638    0.2092 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8900   -0.6692    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0253    0.1489   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3945    0.1588   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9541   -0.7117    0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210   -0.7024    0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1258    0.1994    0.3148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5600    1.0721   -0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2186    1.0730   -0.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7262    0.5582   -1.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5469   -1.3856    0.7696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3902    0.8881   -1.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3484   -1.4321    1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7149   -1.3995    1.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1745    0.2041    0.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1705    1.8106   -1.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7809    1.7781   -1.5987 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