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
    3.8785    0.5222    0.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2896   -0.7259    0.2208 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0505   -1.7200    0.3768 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8357   -0.8632    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0912    0.1943   -0.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3701    0.1790   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0502    1.3751   -0.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4275    1.4124   -0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1591    0.2492   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5233   -0.9596   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1256   -0.9489    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8770    0.6857    0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3584   -1.8311    0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5999    1.1651   -0.0889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4596    2.2908   -0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8816    2.3948   -0.4712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2341    0.3495   -0.3063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1036   -1.8676    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -1.9018    0.1467 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