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
    2.6309    1.6019    0.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0132    0.3681    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288    0.2868   -0.0241 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2299   -0.7584   -0.3106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -1.0800   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2798   -0.4830   -0.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5269    0.7733    0.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7930    1.3179    0.5663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8686    0.4960    0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7172   -0.7837   -0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4452   -1.2564   -0.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9350    2.4701    0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9598   -1.6230   -0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9031   -2.1842   -0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2872    1.4128    0.5221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207    2.3334    0.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8800    0.8356    0.4753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5411   -1.4615   -0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3064   -2.2656   -0.7056 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