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
    2.8370   -1.7373    2.8960 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5956   -1.2034    2.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745   -1.1032    3.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2269   -0.7789    1.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0393   -0.2860    1.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262    0.1724   -0.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472    0.1253   -1.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1277    0.5700   -2.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4122    1.0630   -2.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2298    1.1289   -1.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7093    0.6824   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3005   -1.4865    3.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9263   -0.8680    0.4399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6608   -0.2065    1.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422   -0.2567   -1.3851 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4956    0.5268   -3.5539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7601    1.4032   -3.7004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2258    1.5289   -1.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3333    0.7257    0.4485 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