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
    4.0999    0.0374    1.6739 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686   -0.1969    0.5958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7502   -0.5762   -0.4834 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8136   -0.0119    0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0651   -0.2432   -0.3618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3735   -0.0721   -0.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0586    0.3412    0.7966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4506    0.4913    0.7853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1372    0.2175   -0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4755   -0.1988   -1.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1226   -0.3410   -1.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0846    0.1784    1.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3863    0.3185    1.6134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5315   -0.5756   -1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5338    0.5597    1.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9502    0.8170    1.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2220    0.3254   -0.4099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0773   -0.4042   -2.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986   -0.6664   -2.3688 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