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
    3.8115    0.7503   -0.3547 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217   -0.2125    0.5482 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1711   -0.8127    1.2226 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8788   -0.4461    0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0551    0.2420   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3809    0.1055   -0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9958   -0.7967    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3789   -0.9492    0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1426   -0.1748   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5447    0.7228   -0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1601    0.8708   -0.9536 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6510    1.2925   -0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747   -1.1903    1.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4848    0.9861   -0.8119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4228   -1.4099    1.3686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8865   -1.6521    1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2144   -0.2784   -0.1141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1077    1.3446   -1.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7141    1.6080   -1.6382 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