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
    3.2569    2.9925   -0.0031 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6710    1.8873    0.5442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2149    1.3744    1.5749 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4581    1.2870   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8990    0.2382    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3028   -0.3886   -0.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8095   -1.5209    0.6385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9375   -2.1823    0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917   -1.6930   -0.8865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127   -0.5813   -1.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625    0.0901   -1.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1619    3.3626    0.2223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284    1.7465   -0.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720   -0.2035    1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3014   -1.9170    1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3165   -3.0705    0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948   -2.2026   -1.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6253   -0.1828   -2.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6076    0.9639   -1.6545 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